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

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C17H21ClN4OS MolecularWeight: 364.89284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C17H21ClN4OS/c1-21-9-6-8-13(21)14-7-4-3-5-10-22(14)16(23)15-12(18)11-19-17(20-15)24-2/h6,8-9,11,14H,3-5,7,10H2,1-2H3