ethyl (5R,6S)-4-methylidene-6-(3-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5R,6S)-4-methylidene-6-(3-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-6-(3-methyl-1-phenyl-pyrazol-4-yl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(3-methyl-1-phenyl-4-pyrazolyl)-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-6-(3-methyl-1-phenylpyrazol-4-yl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(3-methyl-1-phenyl-pyrazol-4-yl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=CN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3/c1-4-25-17(23)15-12(3)19-18(24)20-16(15)14-10-22(21-11(14)2)13-8-6-5-7-9-13/h5-10,15-16H,3-4H2,1-2H3,(H2,19,20,24)/t15-,16+/m0/s1