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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3SC4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3SC4CCCC4

InChI

InChI=1S/C21H25N5O3S/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-11-17(27)23-15-9-5-6-10-16(15)30-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,23,27)