1-[4-(2-bromanyl-4,5-diethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(2-bromanyl-4,5-diethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(2-bromo-4,5-diethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(2-bromo-4,5-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(2-bromo-4,5-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(2-bromo-4,5-diethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)Br)OCC

InChI

InChI=1S/C17H21BrN2O3S/c1-5-22-13-7-11(12(18)8-14(13)23-6-2)16-15(10(4)21)9(3)19-17(24)20-16/h7-8,16H,5-6H2,1-4H3,(H2,19,20,24)