4-[7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-3H-purin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[7-(2-chlorophenyl)-2,6-diketo-1-methyl-3H-purin-8-yl]piperazine-1-carboxylic acid Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2C3=CC=CC=C3Cl)N4CCN(CC4)C(=O)O

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2C3=CC=CC=C3Cl)N4CCN(CC4)C(=O)O

InChI

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