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

Systemtic Name: 2-[7-(2-ethenylphenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[3-methyl-2,6-dioxo-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[7-(2-ethenylphenyl)-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-(2-ethenylphenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[2,6-diketo-3-methyl-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylic acid Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4C=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4C=C

InChI

InChI=1S/C19H20N6O4/c1-3-11-6-4-5-7-12(11)25-14-16(23(2)18(27)22-17(14)26)21-15(25)13-10-20-8-9-24(13)19(28)29/h3-7,13,20H,1,8-10H2,2H3,(H,28,29)(H,22,26,27)