4-methylsulfanyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-methylsulfanyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(methylthio)-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzylpiperazino)-4-(methylthio)pyrimidine-5-carboxylic acid Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC=C1C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=NC=C1C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-24-15-14(16(22)23)11-18-17(19-15)21-9-7-20(8-10-21)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,22,23)