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

Systemtic Name: 6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(4-isobutoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(4-isobutoxybenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C23H26N2O2S/c1-16(2)14-27-20-11-9-18(10-12-20)13-21-17(3)24-23(25-22(21)26)28-15-19-7-5-4-6-8-19/h4-12,16H,13-15H2,1-3H3,(H,24,25,26)