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

Systemtic Name: 7-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(5-methoxy-1H-indol-3-yl)-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(5-methoxy-1H-indol-3-yl)-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(5-methoxy-1H-indol-3-yl)piperidino]propyl]-1,3-dimethyl-xanthine Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)OC

InChI

InChI=1S/C24H30N6O3/c1-27-22-21(23(31)28(2)24(27)32)30(15-26-22)10-4-9-29-11-7-16(8-12-29)19-14-25-20-6-5-17(33-3)13-18(19)20/h5-6,13-16,25H,4,7-12H2,1-3H3