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

Systemtic Name: 4-(butylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(butylamino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(butylamino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(butylamino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(butylamino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)C)SC

Isomeric SMILES

CCCCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)C)SC

InChI

InChI=1S/C17H20N4S/c1-4-5-10-19-16-14(11-18)15(20-17(21-16)22-3)13-8-6-12(2)7-9-13/h6-9H,4-5,10H2,1-3H3,(H,19,20,21)