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

Systemtic Name: 5-(2-butylsulfanylethyl)-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-(2-butylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-(2-butylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-(butylthio)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=C(NC(=NC1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCSCCC1=C(NC(=NC1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H24N2OS/c1-3-4-11-22-12-10-16-14(2)19-17(20-18(16)21)13-15-8-6-5-7-9-15/h5-9H,3-4,10-13H2,1-2H3,(H,19,20,21)