N-(5-chloranyl-2-phenylsulfanyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(5-chloranyl-2-phenylsulfanyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(5-chloro-2-phenylsulfanyl-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-[5-chloro-2-(phenylthio)phenyl]-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(5-chloro-2-phenylsulfanylphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-[5-chloro-2-(phenylthio)phenyl]-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C23H22ClN5O3S MolecularWeight: 483.97048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5O3S/c1-27-21-20(22(31)28(2)23(27)32)29(14-25-21)12-6-9-19(30)26-17-13-15(24)10-11-18(17)33-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,26,30)