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

Systemtic Name: 7-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(1H-indol-3-yl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(1H-indol-3-yl)piperidino]ethyl]-1,3-dimethyl-xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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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=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H26N6O2/c1-25-20-19(21(29)26(2)22(25)30)28(14-24-20)12-11-27-9-7-15(8-10-27)17-13-23-18-6-4-3-5-16(17)18/h3-6,13-15,23H,7-12H2,1-2H3