3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylsulfanylphenyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methylsulfanylphenyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-(methylthio)phenyl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[4-(methylthio)phenyl]propionamide Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C17H19N5O3S/c1-20-15-14(16(24)21(2)17(20)25)22(10-18-15)9-8-13(23)19-11-4-6-12(26-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23)