4-azanyl-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-6-[(3,3-dimethyl-2-oxobutyl)thio]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-6-[(2-keto-3,3-dimethyl-butyl)thio]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C12H16N4OS2 MolecularWeight: 296.41164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=NC(=C1C#N)N)SC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=NC(=C1C#N)N)SC

InChI

InChI=1S/C12H16N4OS2/c1-12(2,3)8(17)6-19-10-7(5-13)9(14)15-11(16-10)18-4/h6H2,1-4H3,(H2,14,15,16)