2-(2-hydroxyethylsulfanyl)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-(2-hydroxyethylsulfanyl)-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(2-hydroxyethylthio)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-(2-hydroxyethylsulfanyl)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-(2-hydroxyethylthio)-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCO)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCO)CCC(C)C

InChI

InChI=1S/C12H20N2O2S/c1-8(2)4-5-10-9(3)13-12(14-11(10)16)17-7-6-15/h8,15H,4-7H2,1-3H3,(H,13,14,16)