6-methyl-2-(3-methylbutylsulfanyl)-5-propyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-propyl-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-6-methyl-5-propyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(3-methylbutylthio)-5-propyl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-propyl-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-6-methyl-5-propyl-1H-pyrimidin-4-one Formula: C13H22N2OS MolecularWeight: 254.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)SCCC(C)C)C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)SCCC(C)C)C

InChI

InChI=1S/C13H22N2OS/c1-5-6-11-10(4)14-13(15-12(11)16)17-8-7-9(2)3/h9H,5-8H2,1-4H3,(H,14,15,16)