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

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

Isomeric SMILES

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

InChI

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