4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(methylthio)pyrimidine-5-carboxylate Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC=C2C(=O)[O-])SC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC=C2C(=O)[O-])SC

InChI

InChI=1S/C11H16N4O2S/c1-14-3-5-15(6-4-14)9-8(10(16)17)7-12-11(13-9)18-2/h7H,3-6H2,1-2H3,(H,16,17)