2-{[5-({[3-(1-Cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenyl]amino}-5-nitropyrimidin-4-yl thiocyanate (HCID 86646089)

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Basic information

Standard SMILES: Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncc([N+](=O)[O-])c(SC#N)n1
InChIKey: DSZMUVIQMQJNRZ-UHFFFAOYSA-N
Molecular formula: C23H19N7O3S
Average molar mass: 473.5 g/mol
Monoisotopic mass: 473.12700867

Names & identifiers

Preferred name: 2-{[5-({[3-(1-Cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenyl]amino}-5-nitropyrimidin-4-yl thiocyanate
IUPAC: [2-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylanilino]-5-nitropyrimidin-4-yl] thiocyanate

Names & synonyms

SCHEMBL2857493DSZMUVIQMQJNRZ-UHFFFAOYSA-N2-{[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenyl]amino}-5-nitropyrimidin-4-yl thiocyanate