4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-5-phenyl-thieno[2,3-d]pyrimidine Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S2/c27-26(28)18-12-16(33(29,30)25-10-4-5-11-25)8-9-19(18)31-21-20-17(15-6-2-1-3-7-15)13-32-22(20)24-14-23-21/h1-3,6-9,12-14H,4-5,10-11H2