5-[(3-methyl-4-propoxy-phenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(3-methyl-4-propoxy-phenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-4-hydroxy-5-[(3-methyl-4-propoxy-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-4-hydroxy-5-(3-methyl-4-propoxy-benzyl)-1H-pyrimidin-6-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H24N2O3S/c1-3-11-27-19-10-9-17(12-15(19)2)13-18-20(25)23-22(24-21(18)26)28-14-16-7-5-4-6-8-16/h4-10,12H,3,11,13-14H2,1-2H3,(H2,23,24,25,26)