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

Systemtic Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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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=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC4=CC=CO4

InChI

InChI=1S/C21H23N5O2S/c27-20(26-11-4-10-25(12-13-26)15-17-5-3-14-28-17)16-29-21-23-9-7-19(24-21)18-6-1-2-8-22-18/h1-3,5-9,14H,4,10-13,15-16H2