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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methyl-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-6-7-10-9(2)15-13(16-12(10)18)19-8-11(17)14(3,4)5/h6H,1,7-8H2,2-5H3,(H,15,16,18)