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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > (3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Preferred term

(3s)-2-[(s)-tert-butylsulfinyl]-n-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C31H32FN5O3S

inchi

  • InChI=1S/C31H32FN5O3S/c1-31(2,3)41(40)37-18-23-14-26(30(39)35-17-22-7-4-5-10-25(22)32)36-29(28(23)27(37)11-12-38)21-9-6-8-20(13-21)24-15-33-19-34-16-24/h4-10,13-16,19,27,38H,11-12,17-18H2,1-3H3,(H,35,39)/t27-,41-/m0/s1

inchikey

  • YBJDMCPYPJWKRF-JNGYJVBXSA-N

mass

  • 573.683

monoisotopicmass

  • 573.22099

smiles

  • CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CN=C4)C(=O)NCC5=CC=CC=C5F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97155

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