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

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

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)C4=CC=CC=C4C=C

InChI

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