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

Systemtic Name: 4-(butan-2-ylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-phenyl-6-(sec-butylamino)pyrimidine-5-carbonitrile CAS Name: 4-(butan-2-ylamino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(butan-2-ylamino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-phenyl-6-(sec-butylamino)pyrimidine-5-carbonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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