(4R,5S)-N-(4-bromophenyl)-4-[3-chloranyl-4-(cyanomethoxy)-5-ethoxy-phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4R,5S)-N-(4-bromophenyl)-4-[3-chloranyl-4-(cyanomethoxy)-5-ethoxy-phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-(4-bromophenyl)-4-[3-chloro-4-(cyanomethoxy)-5-ethoxy-phenyl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-N-(4-bromophenyl)-4-[3-chloro-4-(cyanomethoxy)-5-ethoxyphenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-(4-bromophenyl)-4-[3-chloro-4-(cyanomethoxy)-5-ethoxyphenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-N-(4-bromophenyl)-4-[3-chloro-4-(cyanomethoxy)-5-ethoxy-phenyl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxamide Formula: C22H20BrClN4O4 MolecularWeight: 519.7756

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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)Br)Cl)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN4O4/c1-3-31-17-11-13(10-16(24)20(17)32-9-8-25)19-18(12(2)26-22(30)28-19)21(29)27-15-6-4-14(23)5-7-15/h4-7,10-11,18-19H,2-3,9H2,1H3,(H,27,29)(H2,26,28,30)/t18-,19+/m1/s1