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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-methyl-4-pyrrolidino-phenyl)butyramide Formula: C22H28N6O3 MolecularWeight: 424.49612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H28N6O3/c1-15-13-16(27-10-4-5-11-27)8-9-17(15)24-18(29)7-6-12-28-14-23-20-19(28)21(30)26(3)22(31)25(20)2/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,24,29)