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

Systemtic Name: 4-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-brosyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C26H29BrN6O2S MolecularWeight: 569.51646

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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=CC=C(C=C5)Br

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H29BrN6O2S/c1-3-8-23-28-25(24-19(2)30-33(26(24)29-23)21-9-5-4-6-10-21)31-15-7-16-32(18-17-31)36(34,35)22-13-11-20(27)12-14-22/h4-6,9-14H,3,7-8,15-18H2,1-2H3