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

Systemtic Name: 2-[7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-[1-methyl-2,6-dioxo-8-piperazin-1-yl-7-(2-vinylphenyl)purin-3-yl]acetic acid CAS Name: 2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid Traditional Name: 2-[2,6-diketo-1-methyl-8-piperazino-7-(2-vinylphenyl)purin-3-yl]acetic acid Formula: C20H22N6O4 MolecularWeight: 410.42648

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4/c1-3-13-6-4-5-7-14(13)26-16-17(22-19(26)24-10-8-21-9-11-24)25(12-15(27)28)20(30)23(2)18(16)29/h3-7,21H,1,8-12H2,2H3,(H,27,28)