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

Systemtic Name: 2-[7-(2-methanoylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[7-(2-formylphenyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-(2-formylphenyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-(2-formylphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[7-(2-formylphenyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C19H20N6O5 MolecularWeight: 412.3993

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O5/c1-22-16-14(17(27)23(2)18(22)28)25(12-6-4-3-5-11(12)10-26)15(21-16)13-9-20-7-8-24(13)19(29)30/h3-6,10,13,20H,7-9H2,1-2H3,(H,29,30)