(4R,5R)-4-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-2-oxidanylidene-N-(phenylmethyl)-1,3-diazinane-5-carboxamide

Systemtic Name: (4R,5R)-4-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-2-oxidanylidene-N-(phenylmethyl)-1,3-diazinane-5-carboxamide Openeye Name: (4R,5R)-N-benzyl-4-(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5R)-4-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-6-methylene-2-oxo-N-(phenylmethyl)-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5R)-N-benzyl-4-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4R,5R)-N-benzyl-4-(2-bromo-5-methoxy-4-propargyloxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxamide Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(C(=C)NC(=O)N2)C(=O)NCC3=CC=CC=C3)Br)OCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)NCC3=CC=CC=C3)Br)OCC#C

InChI

InChI=1S/C23H22BrN3O4/c1-4-10-31-19-12-17(24)16(11-18(19)30-3)21-20(14(2)26-23(29)27-21)22(28)25-13-15-8-6-5-7-9-15/h1,5-9,11-12,20-21H,2,10,13H2,3H3,(H,25,28)(H2,26,27,29)/t20-,21-/m0/s1