[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl] piperazine-1-carboxylate

Systemtic Name: [7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl] piperazine-1-carboxylate Openeye Name: [7-(2-chlorophenyl)-3-methyl-2,6-dioxo-purin-8-yl] piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-purinyl] ester IUPAC Name: [7-(2-chlorophenyl)-3-methyl-2,6-dioxopurin-8-yl] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [7-(2-chlorophenyl)-2,6-diketo-3-methyl-purin-8-yl] ester Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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