2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-2-[(3-bromo-4-methoxy-benzyl)thio]-6-keto-1H-pyrimidin-4-olate Formula: C19H16BrN2O3S- MolecularWeight: 432.31094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)[O-])Br

InChI

InChI=1S/C19H17BrN2O3S/c1-25-16-8-7-13(10-15(16)20)11-26-19-21-17(23)14(18(24)22-19)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H2,21,22,23,24)/p-1