sodium 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: sodium 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: sodium 2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzoate CAS Name: sodium 2-[[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: sodium 2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: sodium 2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzoate Formula: C17H17N4NaO4 MolecularWeight: 364.33105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18N4O4.Na/c1-25-14-6-7-18-17(19-14)21-10-8-20(9-11-21)15(22)12-4-2-3-5-13(12)16(23)24;/h2-7H,8-11H2,1H3,(H,23,24);/q;+1/p-1