(4S,5R)-N-(4-bromophenyl)-4-(4-ethylphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-N-(4-bromophenyl)-4-(4-ethylphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-(4-bromophenyl)-4-(4-ethylphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-N-(4-bromophenyl)-4-(4-ethylphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-(4-bromophenyl)-4-(4-ethylphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-N-(4-bromophenyl)-4-(4-ethylphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2/c1-3-13-4-6-14(7-5-13)18-17(12(2)22-20(26)24-18)19(25)23-16-10-8-15(21)9-11-16/h4-11,17-18H,2-3H2,1H3,(H,23,25)(H2,22,24,26)/t17-,18+/m0/s1