7-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(3-chlorophenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C19H23ClN6O2 MolecularWeight: 402.87792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H23ClN6O2/c1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)11-8-24-6-9-25(10-7-24)15-5-3-4-14(20)12-15/h3-5,12-13H,6-11H2,1-2H3