ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-methyl-1-piperazin-4-iumyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H25N6O2+ MolecularWeight: 345.4194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O2/c1-5-25-16(24)14-11-18-17(23-13(3)10-12(2)20-23)19-15(14)22-8-6-21(4)7-9-22/h10-11H,5-9H2,1-4H3/p+1