ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H27N6O3+ MolecularWeight: 375.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3/c1-4-27-17(26)15-12-19-18(24-14(3)11-13(2)21-24)20-16(15)23-7-5-22(6-8-23)9-10-25/h11-12,25H,4-10H2,1-3H3/p+1