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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(5-methyl-2-phenyl-triazole-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(5-methyl-2-phenyl-4-triazolyl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(5-methyl-2-phenyltriazole-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(5-methyl-2-phenyl-triazole-4-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=NN(N=C2C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=NN(N=C2C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H23N5O5/c1-4-14-16(18(26)29-5-2)15(22-20(28)21-14)11-30-19(27)17-12(3)23-25(24-17)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H2,21,22,28)/t14-/m0/s1