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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-n,n-dimethylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-n,n-dimethylbenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-n,n-dimethylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-n,n-dimethylbenzenesulfonamide

Preferred term

4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-n,n-dimethylbenzenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22ClN7O2S

inchi

  • InChI=1S/C22H22ClN7O2S/c1-29(2)33(31,32)17-11-9-16(10-12-17)24-21-19-22(26-20(25-21)14-7-8-14)30(28-27-19)13-15-5-3-4-6-18(15)23/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,24,25,26)

inchikey

  • OWCNMPULVFDBBD-UHFFFAOYSA-N

mass

  • 483.976

monoisotopicmass

  • 483.12442

smiles

  • CN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=NN3CC4=CC=CC=C4Cl)C5CC5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119997

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