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

Systemtic Name: 1,3-dimethyl-7-[2-[4-(5-oxidanyl-1H-indol-3-yl)piperidin-1-yl]ethyl]purine-2,6-dione Openeye Name: 7-[2-[4-(5-hydroxy-1H-indol-3-yl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(5-hydroxy-1H-indol-3-yl)-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(5-hydroxy-1H-indol-3-yl)piperidino]ethyl]-1,3-dimethyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-25-20-19(21(30)26(2)22(25)31)28(13-24-20)10-9-27-7-5-14(6-8-27)17-12-23-18-4-3-15(29)11-16(17)18/h3-4,11-14,23,29H,5-10H2,1-2H3