2-[(2-methylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-(o-tolylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C15H18N2OS MolecularWeight: 274.38122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C

InChI

InChI=1S/C15H18N2OS/c1-3-6-13-9-14(18)17-15(16-13)19-10-12-8-5-4-7-11(12)2/h4-5,7-9H,3,6,10H2,1-2H3,(H,16,17,18)