1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]ethanone Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C21H24N6O2S/c1-16-13-17(25-29-16)14-26-9-4-10-27(12-11-26)20(28)15-30-21-23-8-6-19(24-21)18-5-2-3-7-22-18/h2-3,5-8,13H,4,9-12,14-15H2,1H3