7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylic acid

Systemtic Name: 7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylic acid Openeye Name: 1-methyl-2,6-dioxo-8-piperazin-1-yl-7-(2-vinylphenyl)purine-3-carboxylic acid CAS Name: 7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxylic acid IUPAC Name: 7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxylic acid Traditional Name: 2,6-diketo-1-methyl-8-piperazino-7-(2-vinylphenyl)purine-3-carboxylic acid Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3C=C)N4CCNCC4)N(C1=O)C(=O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3C=C)N4CCNCC4)N(C1=O)C(=O)O

InChI

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