(4S,5R)-4-(5-bromanyl-2-prop-2-enoxy-phenyl)-6-methylidene-N-(3-methylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-(5-bromanyl-2-prop-2-enoxy-phenyl)-6-methylidene-N-(3-methylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(2-allyloxy-5-bromo-phenyl)-6-methylene-N-(m-tolyl)-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(5-bromo-2-prop-2-enoxyphenyl)-6-methylene-N-(3-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-(5-bromo-2-prop-2-enoxyphenyl)-6-methylidene-N-(3-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(2-allyloxy-5-bromo-phenyl)-2-keto-6-methylene-N-(m-tolyl)hexahydropyrimidine-5-carboxamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2C(NC(=O)NC2=C)C3=C(C=CC(=C3)Br)OCC=C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=C(C=CC(=C3)Br)OCC=C

InChI

InChI=1S/C22H22BrN3O3/c1-4-10-29-18-9-8-15(23)12-17(18)20-19(14(3)24-22(28)26-20)21(27)25-16-7-5-6-13(2)11-16/h4-9,11-12,19-20H,1,3,10H2,2H3,(H,25,27)(H2,24,26,28)/t19-,20+/m0/s1