4-[butyl(methyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[butyl(methyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[butyl(methyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[butyl(methyl)amino]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[butyl(methyl)amino]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[butyl(methyl)amino]-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCN(C)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

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