ethyl 4-azanyl-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H22N5O3S+ MolecularWeight: 340.42118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N5O3S/c1-3-22-13(21)10-8-16-14(17-12(10)15)23-9-11(20)19-6-4-18(2)5-7-19/h8H,3-7,9H2,1-2H3,(H2,15,16,17)/p+1