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

Systemtic Name: 2-(3-methylbutylsulfanyl)-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-(3-methylbutylthio)-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(3-methylbutylsulfanyl)-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-6-propyl-1H-pyrimidin-4-one Formula: C12H20N2OS MolecularWeight: 240.365

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCC(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCC(C)C

InChI

InChI=1S/C12H20N2OS/c1-4-5-10-8-11(15)14-12(13-10)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)