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

Systemtic Name: 4-(azepan-1-yl)-6-chloranyl-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(azepan-1-yl)-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(1-azepanyl)-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(azepan-1-yl)-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile Formula: C12H15ClN4S MolecularWeight: 282.7923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4S/c1-18-12-15-10(13)9(8-14)11(16-12)17-6-4-2-3-5-7-17/h2-7H2,1H3