7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylic acid

Systemtic Name: 7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylic acid Openeye Name: 7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-yl-purine-3-carboxylic acid CAS Name: 7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxylic acid IUPAC Name: 7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxylic acid Traditional Name: 7-(2-chlorophenyl)-2,6-diketo-1-methyl-8-piperazino-purine-3-carboxylic acid Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)C(=O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)C(=O)O

InChI

InChI=1S/C17H17ClN6O4/c1-21-14(25)12-13(24(16(21)26)17(27)28)20-15(22-8-6-19-7-9-22)23(12)11-5-3-2-4-10(11)18/h2-5,19H,6-9H2,1H3,(H,27,28)