4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C25H26ClN7O4S MolecularWeight: 556.03644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H26ClN7O4S/c1-3-7-22-27-24(23-17(2)29-32(25(23)28-22)18-8-5-4-6-9-18)30-12-14-31(15-13-30)38(36,37)19-10-11-20(26)21(16-19)33(34)35/h4-6,8-11,16H,3,7,12-15H2,1-2H3