4-[4-(2,4-dinitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(2,4-dinitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(2,4-dinitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(2,4-dinitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(2,4-dinitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(2,4-dinitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C26H28N8O6S MolecularWeight: 580.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H28N8O6S/c1-3-8-23-27-25(24-18(2)29-32(26(24)28-23)19-9-5-4-6-10-19)30-13-7-14-31(16-15-30)41(39,40)22-12-11-20(33(35)36)17-21(22)34(37)38/h4-6,9-12,17H,3,7-8,13-16H2,1-2H3