3-[4-azanyl-2-(ethoxymethyl)-7-pyridin-3-yl-imidazo[4,5-c]quinolin-1-yl]propane-1,2-diol

Systemtic Name: 3-[4-azanyl-2-(ethoxymethyl)-7-pyridin-3-yl-imidazo[4,5-c]quinolin-1-yl]propane-1,2-diol Openeye Name: 3-[4-amino-2-(ethoxymethyl)-7-(3-pyridyl)imidazo[4,5-c]quinolin-1-yl]propane-1,2-diol CAS Name: 3-[4-amino-2-(ethoxymethyl)-7-(3-pyridinyl)-1-imidazo[4,5-c]quinolinyl]propane-1,2-diol IUPAC Name: 3-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propane-1,2-diol Traditional Name: 3-[4-amino-2-(ethoxymethyl)-7-(3-pyridyl)imidazo[4,5-c]quinolin-1-yl]propane-1,2-diol Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1CC(CO)O)C3=C(C=C(C=C3)C4=CN=CC=C4)N=C2N

Isomeric SMILES

CCOCC1=NC2=C(N1CC(CO)O)C3=C(C=C(C=C3)C4=CN=CC=C4)N=C2N

InChI

InChI=1S/C21H23N5O3/c1-2-29-12-18-25-19-20(26(18)10-15(28)11-27)16-6-5-13(8-17(16)24-21(19)22)14-4-3-7-23-9-14/h3-9,15,27-28H,2,10-12H2,1H3,(H2,22,24)