6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-(2-isopentylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(3-methylbutylthio)ethyl]-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-(isoamylthio)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C19H26N2OS MolecularWeight: 330.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCSCCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCSCCC(C)C

InChI

InChI=1S/C19H26N2OS/c1-14(2)9-11-23-12-10-17-15(3)20-18(21-19(17)22)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,20,21,22)