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

Systemtic Name: N-(3-chlorophenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]butanamide Openeye Name: N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide CAS Name: N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]butanamide IUPAC Name: N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide Traditional Name: N-(3-chlorophenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]butyramide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c1-3-11(14(23)20-10-6-4-5-9(17)7-10)25-16-21-12-13(22(16)2)18-8-19-15(12)24/h4-8,11H,3H2,1-2H3,(H,20,23)(H,18,19,24)