N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-pyrimidylthio)acetamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H24N4O4S2/c1-27-17-8-7-15(29(25,26)23-11-4-2-3-5-12-23)13-16(17)22-18(24)14-28-19-20-9-6-10-21-19/h6-10,13H,2-5,11-12,14H2,1H3,(H,22,24)