(4S,5R)-N-(3-chloranyl-4-methyl-phenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-N-(3-chloranyl-4-methyl-phenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-(3-chloro-4-methyl-phenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-N-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-N-(3-chloro-4-methyl-phenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)NC3=CC(=C(C=C3)C)Cl)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC(=C(C=C3)C)Cl)O

InChI

InChI=1S/C21H22ClN3O4/c1-4-29-17-9-13(6-8-16(17)26)19-18(12(3)23-21(28)25-19)20(27)24-14-7-5-11(2)15(22)10-14/h5-10,18-19,26H,3-4H2,1-2H3,(H,24,27)(H2,23,25,28)/t18-,19+/m0/s1