methyl (5S,6R)-4-methylidene-6-(4-morpholin-4-ylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5S,6R)-4-methylidene-6-(4-morpholin-4-ylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (5S,6R)-4-methylene-6-(4-morpholinophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-[4-(4-morpholinyl)phenyl]-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-4-methylidene-6-(4-morpholin-4-ylphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(4-morpholinophenyl)hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C17H21N3O4/c1-11-14(16(21)23-2)15(19-17(22)18-11)12-3-5-13(6-4-12)20-7-9-24-10-8-20/h3-6,14-15H,1,7-10H2,2H3,(H2,18,19,22)/t14-,15+/m1/s1