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

Systemtic Name: 1-(4-methylphenyl)-6-oxidanyl-2-phenacylsulfanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-6-hydroxy-2-phenacylsulfanyl-1-(p-tolyl)pyrimidin-4-one CAS Name: 6-hydroxy-1-(4-methylphenyl)-2-(phenacylthio)-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-6-hydroxy-1-(4-methylphenyl)-2-phenacylsulfanylpyrimidin-4-one Traditional Name: 5-benzyl-6-hydroxy-2-(phenacylthio)-1-(p-tolyl)pyrimidin-4-one Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H22N2O3S/c1-18-12-14-21(15-13-18)28-25(31)22(16-19-8-4-2-5-9-19)24(30)27-26(28)32-17-23(29)20-10-6-3-7-11-20/h2-15,31H,16-17H2,1H3