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

Systemtic Name: 4-(azepan-1-yl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(azepan-1-yl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(1-azepanyl)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(azepan-1-yl)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(azepan-1-yl)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCCCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4S/c1-23-18-20-16(14-9-5-4-6-10-14)15(13-19)17(21-18)22-11-7-2-3-8-12-22/h4-6,9-10H,2-3,7-8,11-12H2,1H3