5-methyl-2-(2-methylpropylsulfanyl)-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-methyl-2-(2-methylpropylsulfanyl)-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-isobutylsulfanyl-5-methyl-1H-pyrimidin-4-one CAS Name: 5-methyl-2-(2-methylpropylthio)-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-(isobutylthio)-5-methyl-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2OS/c1-11(2)10-20-16-17-14(12(3)15(19)18-16)9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)