5-butyl-3-(2-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-3-(2-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidin-4-olate Openeye Name: 5-butyl-3-(o-tolyl)-6-oxo-2-phenacylsulfanyl-pyrimidin-4-olate CAS Name: 5-butyl-3-(2-methylphenyl)-6-oxo-2-(phenacylthio)-4-pyrimidinolate IUPAC Name: 5-butyl-3-(2-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidin-4-olate Traditional Name: 5-butyl-6-keto-3-(o-tolyl)-2-(phenacylthio)pyrimidin-4-olate Formula: C23H23N2O3S- MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3C)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3C)[O-]

InChI

InChI=1S/C23H24N2O3S/c1-3-4-13-18-21(27)24-23(29-15-20(26)17-11-6-5-7-12-17)25(22(18)28)19-14-9-8-10-16(19)2/h5-12,14,28H,3-4,13,15H2,1-2H3/p-1