2-tert-butyl-4-(cyclohexylmethylsulfanyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-tert-butyl-4-(cyclohexylmethylsulfanyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-tert-butyl-4-(cyclohexylmethylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-tert-butyl-4-(cyclohexylmethylthio)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-tert-butyl-4-(cyclohexylmethylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-tert-butyl-4-(cyclohexylmethylthio)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=O)N1)C#N)SCC2CCCCC2

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=O)N1)C#N)SCC2CCCCC2

InChI

InChI=1S/C16H23N3OS/c1-16(2,3)15-18-13(20)12(9-17)14(19-15)21-10-11-7-5-4-6-8-11/h11H,4-8,10H2,1-3H3,(H,18,19,20)