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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[3-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-piperidinosulfonylphenyl)butyramide Formula: C22H28N6O5S MolecularWeight: 488.55992

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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(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H28N6O5S/c1-25-20-19(21(30)26(2)22(25)31)27(15-23-20)11-7-10-18(29)24-16-8-6-9-17(14-16)34(32,33)28-12-4-3-5-13-28/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,24,29)