3-(2-ethoxyphenyl)-2-(2-methylpropylsulfanyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-(2-ethoxyphenyl)-2-(2-methylpropylsulfanyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(2-ethoxyphenyl)-2-isobutylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-(2-ethoxyphenyl)-2-(2-methylpropylthio)-6-oxo-4-pyrimidinolate IUPAC Name: 3-(2-ethoxyphenyl)-2-(2-methylpropylsulfanyl)-6-oxopyrimidin-4-olate Traditional Name: 2-(isobutylthio)-6-keto-3-o-phenetyl-pyrimidin-4-olate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(C)C)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(C)C)[O-]

InChI

InChI=1S/C16H20N2O3S/c1-4-21-13-8-6-5-7-12(13)18-15(20)9-14(19)17-16(18)22-10-11(2)3/h5-9,11,20H,4,10H2,1-3H3/p-1