[5-[[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[2-(2-pyrimidylthio)acetyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H24N4O4S/c1-15(24)26-13-17-5-4-16(27-17)12-22-8-3-9-23(11-10-22)18(25)14-28-19-20-6-2-7-21-19/h2,4-7H,3,8-14H2,1H3