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

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-[4-(cyclopentylthio)phenyl]-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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)SC4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)SC4CCCC4

InChI

InChI=1S/C21H25N5O3S/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-11-17(27)23-14-7-9-16(10-8-14)30-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,23,27)