N-(3-chloranyl-4-methoxy-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]butanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]butanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]butanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]butyramide Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O3S/c1-4-12(15(24)21-9-5-6-11(26-3)10(18)7-9)27-17-22-13-14(23(17)2)19-8-20-16(13)25/h5-8,12H,4H2,1-3H3,(H,21,24)(H,19,20,25)