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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C30H38N6O2S MolecularWeight: 546.72672

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H38N6O2S/c1-6-11-26-31-28(27-22(2)33-36(29(27)32-26)24-12-8-7-9-13-24)34-18-10-19-35(21-20-34)39(37,38)25-16-14-23(15-17-25)30(3,4)5/h7-9,12-17H,6,10-11,18-21H2,1-5H3