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

Systemtic Name: 1-[(4S)-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[(4S)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[(4S)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[(4S)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[(4S)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)C)Br)OC

InChI

InChI=1S/C16H19BrN2O3S/c1-5-22-12-7-10(6-11(17)15(12)21-4)14-13(9(3)20)8(2)18-16(23)19-14/h6-7,14H,5H2,1-4H3,(H2,18,19,23)/t14-/m0/s1