2-[4-methoxycarbonyl-1-methyl-6-oxidanylidene-5-(phenylcarbonyloxy)pyrimidin-2-yl]-2-methyl-piperazine-1,4-dicarboxylic acid

Systemtic Name: 2-[4-methoxycarbonyl-1-methyl-6-oxidanylidene-5-(phenylcarbonyloxy)pyrimidin-2-yl]-2-methyl-piperazine-1,4-dicarboxylic acid Openeye Name: 2-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxo-pyrimidin-2-yl)-2-methyl-piperazine-1,4-dicarboxylic acid CAS Name: 2-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxo-2-pyrimidinyl)-2-methylpiperazine-1,4-dicarboxylic acid IUPAC Name: 2-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxopyrimidin-2-yl)-2-methylpiperazine-1,4-dicarboxylic acid Traditional Name: 2-(5-benzoyloxy-4-carbomethoxy-6-keto-1-methyl-pyrimidin-2-yl)-2-methyl-piperazine-1,4-dicarboxylic acid Formula: C21H22N4O9 MolecularWeight: 474.42078

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C(=O)O)C(=O)O)C2=NC(=C(C(=O)N2C)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1(CN(CCN1C(=O)O)C(=O)O)C2=NC(=C(C(=O)N2C)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O9/c1-21(11-24(19(29)30)9-10-25(21)20(31)32)18-22-13(17(28)33-3)14(15(26)23(18)2)34-16(27)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,29,30)(H,31,32)