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

Systemtic Name: N-(2-ethoxyphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]butanamide Openeye Name: N-(2-ethoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide CAS Name: N-(2-ethoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]butanamide IUPAC Name: N-(2-ethoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]butanamide Traditional Name: 2-[(6-keto-9-methyl-3H-purin-8-yl)thio]-N-o-phenetyl-butyramide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C18H21N5O3S/c1-4-13(16(24)21-11-8-6-7-9-12(11)26-5-2)27-18-22-14-15(23(18)3)19-10-20-17(14)25/h6-10,13H,4-5H2,1-3H3,(H,21,24)(H,19,20,25)