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

Systemtic Name: 4-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-(2-methoxycarbonylphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[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)N3CCN(CC3)C(=O)O)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)O)C4=CC=CC=C4C(=O)OC

InChI

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