8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-7-(2-methoxyethyl)-1,3-dimethyl-xanthine Formula: C20H25ClN6O3 MolecularWeight: 432.9039

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCOC

InChI

InChI=1S/C20H25ClN6O3/c1-23-17-16(18(28)24(2)20(23)29)27(11-12-30-3)19(22-17)26-9-7-25(8-10-26)15-6-4-5-14(21)13-15/h4-6,13H,7-12H2,1-3H3