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

Systemtic Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CC[NH+](CC2)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CC[NH+](CC2)C)SC

InChI

InChI=1S/C13H20N4O2S/c1-4-19-12(18)10-9-14-13(20-3)15-11(10)17-7-5-16(2)6-8-17/h9H,4-8H2,1-3H3/p+1