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

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]ethanone Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C21H25N7OS/c1-26-12-9-23-19(26)15-27-10-4-11-28(14-13-27)20(29)16-30-21-24-8-6-18(25-21)17-5-2-3-7-22-17/h2-3,5-9,12H,4,10-11,13-16H2,1H3