3-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-4H-pyrimidine-4,5-dicarboxylic acid

Systemtic Name: 3-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-4H-pyrimidine-4,5-dicarboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-3-methyl-4H-pyrimidine-4,5-dicarboxylic acid CAS Name: 3-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-4H-pyrimidine-4,5-dicarboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-3-methyl-4H-pyrimidine-4,5-dicarboxylic acid Traditional Name: 2-(4-benzylpiperazino)-3-methyl-4H-pyrimidine-4,5-dicarboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=CN=C1N2CCN(CC2)CC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(C(=CN=C1N2CCN(CC2)CC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H22N4O4/c1-20-15(17(25)26)14(16(23)24)11-19-18(20)22-9-7-21(8-10-22)12-13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3,(H,23,24)(H,25,26)