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

Systemtic Name: 2-[7-(2-ethenylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-(2-ethenylphenyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-(2-ethenylphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[2,6-diketo-1,3-dimethyl-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylic acid Formula: C20H22N6O4 MolecularWeight: 410.42648

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4/c1-4-12-7-5-6-8-13(12)26-15-17(23(2)19(28)24(3)18(15)27)22-16(26)14-11-21-9-10-25(14)20(29)30/h4-8,14,21H,1,9-11H2,2-3H3,(H,29,30)