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

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-[4-(cyclopentylthio)phenyl]-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-5-8-18(28)24-15-9-11-17(12-10-15)31-16-6-3-4-7-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,24,28)