3-[[7-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid

Systemtic Name: 3-[[7-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid Openeye Name: 3-[[7-(3-aminopropoxy)-4-oxo-quinolizine-2-carbonyl]amino]-2-(pyrimidin-2-ylamino)propanoic acid CAS Name: 3-[[[7-(3-aminopropoxy)-4-oxo-2-quinolizinyl]-oxomethyl]amino]-2-(2-pyrimidinylamino)propanoic acid IUPAC Name: 3-[[7-(3-aminopropoxy)-4-oxoquinolizine-2-carbonyl]amino]-2-(pyrimidin-2-ylamino)propanoic acid Traditional Name: 3-[[7-(3-aminopropoxy)-4-keto-quinolizine-2-carbonyl]amino]-2-(2-pyrimidylamino)propionic acid Formula: C20H22N6O5 MolecularWeight: 426.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCCCN)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCCCN)C(=O)O

InChI

InChI=1S/C20H22N6O5/c21-5-1-8-31-15-4-3-14-9-13(10-17(27)26(14)12-15)18(28)24-11-16(19(29)30)25-20-22-6-2-7-23-20/h2-4,6-7,9-10,12,16H,1,5,8,11,21H2,(H,24,28)(H,29,30)(H,22,23,25)