2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazino]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4S2/c1-16-24-22(21-20(15-33-23(21)25-16)17-6-3-2-4-7-17)26-10-12-27(13-11-26)34(31,32)19-9-5-8-18(14-19)28(29)30/h2-9,14-15H,10-13H2,1H3