2-hexylsulfanyl-1-(2-methylphenyl)-6-oxidanyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-1-(2-methylphenyl)-6-oxidanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-hexylsulfanyl-6-hydroxy-1-(o-tolyl)pyrimidin-4-one CAS Name: 2-(hexylthio)-6-hydroxy-1-(2-methylphenyl)-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-hexylsulfanyl-6-hydroxy-1-(2-methylphenyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-(hexylthio)-6-hydroxy-1-(o-tolyl)pyrimidin-4-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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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