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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1C(C(C)O)O)C3=C(C=C(C=C3)C4=CN=CC=C4)N=C2N

Isomeric SMILES

CCOCC1=NC2=C(N1C(C(C)O)O)C3=C(C=C(C=C3)C4=CN=CC=C4)N=C2N

InChI

InChI=1S/C21H23N5O3/c1-3-29-11-17-25-18-19(26(17)21(28)12(2)27)15-7-6-13(9-16(15)24-20(18)22)14-5-4-8-23-10-14/h4-10,12,21,27-28H,3,11H2,1-2H3,(H2,22,24)