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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O)OC(C)C

InChI

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