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

Systemtic Name: 7-[2-[4-(5-chloranyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(5-chloro-1H-indol-3-yl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(5-chloro-1H-indol-3-yl)-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(5-chloro-1H-indol-3-yl)piperidino]ethyl]-1,3-dimethyl-xanthine Formula: C22H25ClN6O2 MolecularWeight: 440.9259

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN6O2/c1-26-20-19(21(30)27(2)22(26)31)29(13-25-20)10-9-28-7-5-14(6-8-28)17-12-24-18-4-3-15(23)11-16(17)18/h3-4,11-14,24H,5-10H2,1-2H3