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

Systemtic Name: ethyl (4S,5R)-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,2,4H2,1,3H3,(H2,20,21,25)/t14-,15+/m0/s1