1,3-dimethyl-7-[[4-[4-(1-piperidin-4-ylethoxy)phenyl]carbonylphenyl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[4-[4-(1-piperidin-4-ylethoxy)phenyl]carbonylphenyl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[4-[4-[1-(4-piperidyl)ethoxy]benzoyl]phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[4-[oxo-[4-[1-(4-piperidinyl)ethoxy]phenyl]methyl]phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[4-[4-(1-piperidin-4-ylethoxy)benzoyl]phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-[4-[1-(4-piperidyl)ethoxy]benzoyl]benzyl]xanthine Formula: C28H31N5O4 MolecularWeight: 501.57684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC(C1CCNCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C28H31N5O4/c1-18(20-12-14-29-15-13-20)37-23-10-8-22(9-11-23)25(34)21-6-4-19(5-7-21)16-33-17-30-26-24(33)27(35)32(3)28(36)31(26)2/h4-11,17-18,20,29H,12-16H2,1-3H3