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

Systemtic Name: 8-[[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C29H31N7O2S MolecularWeight: 541.66714

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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=CC6=C5N=CC=C6

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C29H31N7O2S/c1-3-10-25-31-28(26-21(2)33-36(29(26)32-25)23-13-5-4-6-14-23)34-17-9-18-35(20-19-34)39(37,38)24-15-7-11-22-12-8-16-30-27(22)24/h4-8,11-16H,3,9-10,17-20H2,1-2H3