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

Systemtic Name: 7-(2-chlorophenyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-methyl-8-piperazino-xanthine Formula: C16H17ClN6O2 MolecularWeight: 360.79818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C16H17ClN6O2/c1-21-13-12(14(24)20-16(21)25)23(11-5-3-2-4-10(11)17)15(19-13)22-8-6-18-7-9-22/h2-5,18H,6-9H2,1H3,(H,20,24,25)