2-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[7-(2-carbomethoxyphenyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C20H22N6O6/c1-23-16-14(17(27)24(2)19(23)29)26(12-7-5-4-6-11(12)18(28)32-3)15(22-16)13-10-21-8-9-25(13)20(30)31/h4-7,13,21H,8-10H2,1-3H3,(H,30,31)