N-(4-ethylphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C16H17N5O2S/c1-3-10-4-6-11(7-5-10)19-12(22)8-24-16-20-13-14(21(16)2)17-9-18-15(13)23/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,18,23)