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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2C3=CC=CC=C3Cl)N4CCNCC4

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2C3=CC=CC=C3Cl)N4CCNCC4

InChI

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