4-(butan-2-ylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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