ethyl 4-methyl-2-oxidanylidene-6-[(4-phenyl-4H-1,2,3-triazol-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-[(4-phenyl-4H-1,2,3-triazol-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-oxo-6-[(4-phenyl-4H-triazol-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[(4-phenyl-4H-triazol-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-oxo-6-[(4-phenyl-4H-triazol-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-[(4-phenyl-4H-triazol-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[N+]2=CC(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)C[N+]2=CC(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3/c1-3-25-16(23)15-11(2)18-17(24)19-14(15)10-22-9-13(20-21-22)12-7-5-4-6-8-12/h4-9,11,13H,3,10H2,1-2H3,(H-,18,19,23,24)/p+1