ethyl 2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H19N4O3+ MolecularWeight: 267.30426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H18N4O3/c1-3-19-11(18)9-8-13-12(14-10(9)17)16-6-4-15(2)5-7-16/h8H,3-7H2,1-2H3,(H,13,14,17)/p+1