4-(4-ethylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-ethylpiperazino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C12H18N4O2S/c1-3-15-4-6-16(7-5-15)10-9(11(17)18)8-13-12(14-10)19-2/h8H,3-7H2,1-2H3,(H,17,18)