2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H21N5O3S/c1-14(27-13-23-19-18(27)21(29)26(3)22(30)25(19)2)20(28)24-16-11-7-8-12-17(16)31-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,24,28)