7-[4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(azepane-1-carbonyl)-1-piperidyl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(azepane-1-carbonyl)piperidino]-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C23H34N6O4 MolecularWeight: 458.55386

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)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H34N6O4/c1-25-20-19(22(32)26(2)23(25)33)29(16-24-20)13-7-8-18(30)27-14-9-17(10-15-27)21(31)28-11-5-3-4-6-12-28/h16-17H,3-15H2,1-2H3