4-[4-[2,3-bis(oxidanyl)propyl]piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[4-[2,3-bis(oxidanyl)propyl]piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[4-(2,3-dihydroxypropyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-glycerylpiperazino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCN(CC2)CC(CO)O)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCN(CC2)CC(CO)O)C(=O)O

InChI

InChI=1S/C13H20N4O4S/c1-22-13-14-6-10(12(20)21)11(15-13)17-4-2-16(3-5-17)7-9(19)8-18/h6,9,18-19H,2-5,7-8H2,1H3,(H,20,21)