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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-(methoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-(methoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-(methoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-(methoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-6-(methoxymethyl)-1H-pyrimidin-4-one Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=O)C=C(N1)COC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=O)C=C(N1)COC

InChI

InChI=1S/C12H18N2O3S/c1-12(2,3)9(15)7-18-11-13-8(6-17-4)5-10(16)14-11/h5H,6-7H2,1-4H3,(H,13,14,16)