1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H23N5OS/c1-15-5-2-6-16(21-15)13-22-9-4-10-23(12-11-22)17(24)14-25-18-19-7-3-8-20-18/h2-3,5-8H,4,9-14H2,1H3