7-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]thiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-5-thiazolo[3,2-a]pyrimidinone IUPAC Name: 7-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]thiazolo[3,2-a]pyrimidin-5-one Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S2/c22-16-9-12(18-17-20(16)7-8-28-17)11-27-15-4-3-13(10-14(15)21(23)24)29(25,26)19-5-1-2-6-19/h3-4,7-10H,1-2,5-6,11H2