N-[4-[4-azanyl-2-(hydroxymethyl)-7-pyridin-3-yl-imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide

Systemtic Name: N-[4-[4-azanyl-2-(hydroxymethyl)-7-pyridin-3-yl-imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide Openeye Name: N-[4-[4-amino-2-(hydroxymethyl)-7-(3-pyridyl)imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide CAS Name: N-[4-[4-amino-2-(hydroxymethyl)-7-(3-pyridinyl)-1-imidazo[4,5-c]quinolinyl]butyl]methanesulfonamide IUPAC Name: N-[4-[4-amino-2-(hydroxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide Traditional Name: N-[4-[4-amino-2-methylol-7-(3-pyridyl)imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCCN1C(=NC2=C1C3=C(C=C(C=C3)C4=CN=CC=C4)N=C2N)CO

Isomeric SMILES

CS(=O)(=O)NCCCCN1C(=NC2=C1C3=C(C=C(C=C3)C4=CN=CC=C4)N=C2N)CO

InChI

InChI=1S/C21H24N6O3S/c1-31(29,30)24-9-2-3-10-27-18(13-28)26-19-20(27)16-7-6-14(11-17(16)25-21(19)22)15-5-4-8-23-12-15/h4-8,11-12,24,28H,2-3,9-10,13H2,1H3,(H2,22,25)