3,7-dimethyl-1-[3-[4-(phenylcarbonyl)piperidin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[4-(phenylcarbonyl)piperidin-1-yl]propyl]purine-2,6-dione Openeye Name: 1-[3-(4-benzoyl-1-piperidyl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(4-benzoyl-1-piperidinyl)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(4-benzoylpiperidin-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(4-benzoylpiperidino)propyl]-3,7-dimethyl-xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3/c1-24-15-23-20-18(24)21(29)27(22(30)25(20)2)12-6-11-26-13-9-17(10-14-26)19(28)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3