4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-nitrophenyl)sulfonylpiperazino]-6-phenyl-thieno[2,3-d]pyrimidine Formula: C22H19N5O4S2 MolecularWeight: 481.54736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4S2/c28-27(29)18-8-4-5-9-20(18)33(30,31)26-12-10-25(11-13-26)21-17-14-19(16-6-2-1-3-7-16)32-22(17)24-15-23-21/h1-9,14-15H,10-13H2