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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C19H23ClN6O3 MolecularWeight: 418.87732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCOC

InChI

InChI=1S/C19H23ClN6O3/c1-23-16-15(17(27)22-19(23)28)26(10-11-29-2)18(21-16)25-8-6-24(7-9-25)14-5-3-4-13(20)12-14/h3-5,12H,6-11H2,1-2H3,(H,22,27,28)