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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-morpholin-4-ium-4-ylethoxy)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-morpholin-4-ium-4-ylethoxy)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[2-(4-morpholin-4-iumyl)ethoxy]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-morpholin-4-ium-4-ylethoxy)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(2-morpholin-4-ium-4-ylethoxy)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H26N5O4+ MolecularWeight: 376.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1OCC[NH+]2CCOCC2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1OCC[NH+]2CCOCC2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C18H25N5O4/c1-4-26-17(24)15-12-19-18(23-14(3)11-13(2)21-23)20-16(15)27-10-7-22-5-8-25-9-6-22/h11-12H,4-10H2,1-3H3/p+1