6-methyl-5-pentyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-pentyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-pentyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-(benzylthio)-6-methyl-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2OS/c1-3-4-6-11-15-13(2)18-17(19-16(15)20)21-12-14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3,(H,18,19,20)