5-(2-ethoxy-2-oxidanylidene-ethyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-(2-ethoxy-2-oxidanylidene-ethyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-(2-ethoxy-2-oxo-ethyl)-6-methyl-pyrimidin-4-olate CAS Name: 5-(2-ethoxy-2-oxoethyl)-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-(2-ethoxy-2-oxoethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(2-ethoxy-2-keto-ethyl)-6-methyl-pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O3S/c1-3-21-14(19)9-13-11(2)17-16(18-15(13)20)22-10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,20)/p-1