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

Systemtic Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(3-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)17-7-4-8-18(13-17)33(30,31)26-11-9-25(10-12-26)21-19-14-20(16-5-2-1-3-6-16)32-22(19)24-15-23-21/h1-8,13-15H,9-12H2