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

Systemtic Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(allylamino)-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(prop-2-enylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(allylamino)-6-(4-chlorophenyl)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C15H13ClN4S MolecularWeight: 316.80852

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCC=C)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCC=C)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClN4S/c1-3-8-18-14-12(9-17)13(19-15(20-14)21-2)10-4-6-11(16)7-5-10/h3-7H,1,8H2,2H3,(H,18,19,20)