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

Systemtic Name: 2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)butanamide Openeye Name: N-(4-isopropylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide CAS Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]-N-(4-propan-2-ylphenyl)butanamide IUPAC Name: 2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)butanamide Traditional Name: 2-[(6-keto-9-methyl-3H-purin-8-yl)thio]-N-p-cumenyl-butyramide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(C)C)SC2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(C)C)SC2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C19H23N5O2S/c1-5-14(17(25)22-13-8-6-12(7-9-13)11(2)3)27-19-23-15-16(24(19)4)20-10-21-18(15)26/h6-11,14H,5H2,1-4H3,(H,22,25)(H,20,21,26)