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

Systemtic Name: 1-phenyl-4-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2S/c1-2-10-24-28-25(23-19-27-32(26(23)29-24)22-13-7-4-8-14-22)30-15-9-16-31(18-17-30)35(33,34)20-21-11-5-3-6-12-21/h3-8,11-14,19H,2,9-10,15-18,20H2,1H3