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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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