1-[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone

Systemtic Name: 1-[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Openeye Name: 1-[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone IUPAC Name: 1-[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Traditional Name: 1-[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C14H15BrN2O3S/c1-6-11(7(2)18)12(17-14(21)16-6)8-4-9(15)13(19)10(5-8)20-3/h4-5,11-12,19H,1H2,2-3H3,(H2,16,17,21)