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

Systemtic Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoic acid Openeye Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetic acid CAS Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid IUPAC Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetic acid Traditional Name: 2-[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-8-piperazino-purin-1-yl]acetic acid Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

InChI

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