2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S/c1-10(2)7-8-12-11(3)17-15(18-14(12)20)21-9-13(19)16(4,5)6/h10H,7-9H2,1-6H3,(H,17,18,20)