7-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(5-methoxy-1H-indol-3-yl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(5-methoxy-1H-indol-3-yl)-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(5-methoxy-1H-indol-3-yl)piperidino]ethyl]-1,3-dimethyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)OC

InChI

InChI=1S/C23H28N6O3/c1-26-21-20(22(30)27(2)23(26)31)29(14-25-21)11-10-28-8-6-15(7-9-28)18-13-24-19-5-4-16(32-3)12-17(18)19/h4-5,12-15,24H,6-11H2,1-3H3