4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(propylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-(propylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(propylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)C)SC

Isomeric SMILES

CCCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)C)SC

InChI

InChI=1S/C16H18N4S/c1-4-9-18-15-13(10-17)14(19-16(20-15)21-3)12-7-5-11(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,18,19,20)