2-[7-(2-methoxyphenyl)-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[7-(2-methoxyphenyl)-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-(2-methoxyphenyl)-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxo-acetic acid CAS Name: 2-[7-(2-methoxyphenyl)-3-methyl-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetic acid IUPAC Name: 2-[7-(2-methoxyphenyl)-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-[6-keto-7-(2-methoxyphenyl)-3-methyl-8-piperazino-2H-purin-1-yl]acetic acid Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C(N2C3=CC=CC=C3OC)N4CCNCC4)C(=O)C(=O)O

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C(N2C3=CC=CC=C3OC)N4CCNCC4)C(=O)C(=O)O

InChI

InChI=1S/C19H22N6O5/c1-22-11-24(17(27)18(28)29)16(26)14-15(22)21-19(23-9-7-20-8-10-23)25(14)12-5-3-4-6-13(12)30-2/h3-6,20H,7-11H2,1-2H3,(H,28,29)