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

Systemtic Name: 2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(6-keto-9-methyl-3H-purin-8-yl)thio]-N-p-cumenyl-acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-10(2)11-4-6-12(7-5-11)20-13(23)8-25-17-21-14-15(22(17)3)18-9-19-16(14)24/h4-7,9-10H,8H2,1-3H3,(H,20,23)(H,18,19,24)