2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=O)C(=C(N1)C2=CN=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=O)C(=C(N1)C2=CN=CC=C2)C#N

InChI

InChI=1S/C16H16N4O2S/c1-16(2,3)12(21)9-23-15-19-13(10-5-4-6-18-8-10)11(7-17)14(22)20-15/h4-6,8H,9H2,1-3H3,(H,19,20,22)