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

Systemtic Name: 2-[3-acetamido-7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[3-acetamido-7-(2-chlorophenyl)-1-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[3-acetamido-7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[3-acetamido-7-(2-chlorophenyl)-1-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[3-acetamido-7-(2-chlorophenyl)-2,6-diketo-1-methyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C19H20ClN7O5 MolecularWeight: 461.859

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)NN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H20ClN7O5/c1-10(28)23-27-16-14(17(29)24(2)18(27)30)26(12-6-4-3-5-11(12)20)15(22-16)13-9-21-7-8-25(13)19(31)32/h3-6,13,21H,7-9H2,1-2H3,(H,23,28)(H,31,32)