azepan-1-yl-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone

Systemtic Name: azepan-1-yl-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone Openeye Name: azepan-1-yl-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)methanone CAS Name: 1-azepanyl-[5-chloro-2-(methylthio)-4-pyrimidinyl]methanone IUPAC Name: azepan-1-yl-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone Traditional Name: azepan-1-yl-[5-chloro-2-(methylthio)pyrimidin-4-yl]methanone Formula: C12H16ClN3OS MolecularWeight: 285.79294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCCCCC2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C12H16ClN3OS/c1-18-12-14-8-9(13)10(15-12)11(17)16-6-4-2-3-5-7-16/h8H,2-7H2,1H3