2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(azepan-1-yl)ethanone Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2)N

InChI

InChI=1S/C13H20N4OS/c1-10-8-11(14)16-13(15-10)19-9-12(18)17-6-4-2-3-5-7-17/h8H,2-7,9H2,1H3,(H2,14,15,16)