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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-pyrrolidinosulfonylphenyl)butyramide Formula: C21H26N6O5S MolecularWeight: 474.53334

Click to see the large picture

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)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N6O5S/c1-24-19-18(20(29)25(2)21(24)30)26(14-22-19)10-6-9-17(28)23-15-7-5-8-16(13-15)33(31,32)27-11-3-4-12-27/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H,23,28)