4-(2-methylpropylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H18N4S/c1-11(2)10-18-15-13(9-17)14(19-16(20-15)21-3)12-7-5-4-6-8-12/h4-8,11H,10H2,1-3H3,(H,18,19,20)