4-(tert-butylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(tert-butylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(tert-butylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(tert-butylamino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(tert-butylamino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(tert-butylamino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H18N4S/c1-16(2,3)20-14-12(10-17)13(18-15(19-14)21-4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,19,20)