4-(4-methylphenyl)-2-methylsulfanyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(allylamino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-(prop-2-enylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(allylamino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC=C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC=C)C#N

InChI

InChI=1S/C16H16N4S/c1-4-9-18-15-13(10-17)14(19-16(20-15)21-3)12-7-5-11(2)6-8-12/h4-8H,1,9H2,2-3H3,(H,18,19,20)