(4R,5S)-4-(5-iodanyl-2-methoxy-phenyl)-6-methylidene-2-oxidanylidene-N-(phenylmethyl)-1,3-diazinane-5-carboxamide

Systemtic Name: (4R,5S)-4-(5-iodanyl-2-methoxy-phenyl)-6-methylidene-2-oxidanylidene-N-(phenylmethyl)-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-benzyl-4-(5-iodo-2-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-4-(5-iodo-2-methoxyphenyl)-6-methylene-2-oxo-N-(phenylmethyl)-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-benzyl-4-(5-iodo-2-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-N-benzyl-4-(5-iodo-2-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxamide Formula: C20H20IN3O3 MolecularWeight: 477.29557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)I)C2C(C(=C)NC(=O)N2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O3/c1-12-17(19(25)22-11-13-6-4-3-5-7-13)18(24-20(26)23-12)15-10-14(21)8-9-16(15)27-2/h3-10,17-18H,1,11H2,2H3,(H,22,25)(H2,23,24,26)/t17-,18+/m1/s1