methyl 5-[[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C23H25N5O4S/c1-31-22(30)20-7-6-17(32-20)15-27-11-4-12-28(14-13-27)21(29)16-33-23-25-10-8-19(26-23)18-5-2-3-9-24-18/h2-3,5-10H,4,11-16H2,1H3