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

Systemtic Name: 4-(azepan-1-yl)-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(azepan-1-yl)-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(1-azepanyl)-6-(4-chlorophenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(azepan-1-yl)-6-(4-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(azepan-1-yl)-6-(4-chlorophenyl)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4S/c1-24-18-21-16(13-6-8-14(19)9-7-13)15(12-20)17(22-18)23-10-4-2-3-5-11-23/h6-9H,2-5,10-11H2,1H3