4-(azepan-1-yl)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(azepan-1-yl)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(azepan-1-yl)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(1-azepanyl)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(azepan-1-yl)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(azepan-1-yl)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCCCCC3)C#N

InChI

InChI=1S/C19H22N4S/c1-14-7-9-15(10-8-14)17-16(13-20)18(22-19(21-17)24-2)23-11-5-3-4-6-12-23/h7-10H,3-6,11-12H2,1-2H3