8-[[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C30H33N7O2S MolecularWeight: 555.69372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C30H33N7O2S/c1-3-4-16-26-32-29(27-22(2)34-37(30(27)33-26)24-13-6-5-7-14-24)35-18-10-19-36(21-20-35)40(38,39)25-15-8-11-23-12-9-17-31-28(23)25/h5-9,11-15,17H,3-4,10,16,18-21H2,1-2H3