4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)oxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C3C(=C(SC3=NC=N2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C3C(=C(SC3=NC=N2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S2/c1-5-21(6-2)29(25,26)13-7-8-15(14(9-13)22(23)24)27-17-16-11(3)12(4)28-18(16)20-10-19-17/h7-10H,5-6H2,1-4H3