3-(4-methoxyphenyl)-2-methylsulfanyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 3-(4-methoxyphenyl)-2-methylsulfanyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-3-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-(4-methoxyphenyl)-2-(methylthio)-6-oxo-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-3-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-3-(4-methoxyphenyl)-2-(methylthio)pyrimidin-4-olate Formula: C19H17N2O3S- MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SC)CC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SC)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H18N2O3S/c1-24-15-10-8-14(9-11-15)21-18(23)16(17(22)20-19(21)25-2)12-13-6-4-3-5-7-13/h3-11,23H,12H2,1-2H3/p-1