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

Systemtic Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CC[NH+](CC2)C)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CC[NH+](CC2)C)N3C=C(C=N3)C

InChI

InChI=1S/C16H22N6O2/c1-4-24-15(23)13-10-17-16(22-11-12(2)9-18-22)19-14(13)21-7-5-20(3)6-8-21/h9-11H,4-8H2,1-3H3/p+1