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

Systemtic Name: 7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylic acid Openeye Name: 7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purine-3-carboxylic acid CAS Name: 7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxylic acid IUPAC Name: 7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxylic acid Traditional Name: 7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purine-3-carboxylic acid Formula: C16H15ClN6O4 MolecularWeight: 390.7811

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C(=O)O

InChI

InChI=1S/C16H15ClN6O4/c17-9-3-1-2-4-10(9)22-11-12(19-14(22)21-7-5-18-6-8-21)23(16(26)27)15(25)20-13(11)24/h1-4,18H,5-8H2,(H,26,27)(H,20,24,25)