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

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

Isomeric SMILES

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

InChI

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