4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C26H28ClN7O4S MolecularWeight: 570.06302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H28ClN7O4S/c1-3-7-18(2)24-29-25(21-17-28-33(26(21)30-24)19-8-5-4-6-9-19)31-12-14-32(15-13-31)39(37,38)20-10-11-22(27)23(16-20)34(35)36/h4-6,8-11,16-18H,3,7,12-15H2,1-2H3