2-hexylsulfanyl-3-(2-methylphenyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-hexylsulfanyl-3-(2-methylphenyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-hexylsulfanyl-3-(o-tolyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-(hexylthio)-3-(2-methylphenyl)-6-oxo-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-hexylsulfanyl-3-(2-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-benzyl-2-(hexylthio)-6-keto-3-(o-tolyl)pyrimidin-4-olate Formula: C24H27N2O2S- MolecularWeight: 407.54838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2C)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2S/c1-3-4-5-11-16-29-24-25-22(27)20(17-19-13-7-6-8-14-19)23(28)26(24)21-15-10-9-12-18(21)2/h6-10,12-15,28H,3-5,11,16-17H2,1-2H3/p-1