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

Systemtic Name: 1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]ethanone Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C22H24N6OS/c29-21(17-30-22-25-11-8-20(26-22)19-7-2-4-10-24-19)28-13-5-12-27(14-15-28)16-18-6-1-3-9-23-18/h1-4,6-11H,5,12-17H2