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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 > 4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7h-purin-8-yl]butanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > 4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7h-purin-8-yl]butanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > 4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7h-purin-8-yl]butanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > 4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7h-purin-8-yl]butanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > 4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7h-purin-8-yl]butanoic acid

Preferred term

4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7h-purin-8-yl]butanoic acid  

Type

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

charge

  • 0

formula

  • C17H18N4O3S

inchi

  • InChI=1S/C17H18N4O3S/c1-20-16(24)14-15(19-12(18-14)8-5-9-13(22)23)21(17(20)25)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,18,19)(H,22,23)

inchikey

  • ZXRCYWGXGAMHEI-UHFFFAOYSA-N

mass

  • 358.417

monoisotopicmass

  • 358.10996

smiles

  • CN1C(=O)C2=C(N=C(N2)CCCC(=O)O)N(C1=S)CC3=CC=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92781

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