9-[2,6-bis(azanyl)pyrimidin-4-yl]-3-quinolin-3-yl-nonanoic acid

Systemtic Name: 9-[2,6-bis(azanyl)pyrimidin-4-yl]-3-quinolin-3-yl-nonanoic acid Openeye Name: 9-(2,6-diaminopyrimidin-4-yl)-3-(3-quinolyl)nonanoic acid CAS Name: 9-(2,6-diamino-4-pyrimidinyl)-3-(3-quinolinyl)nonanoic acid IUPAC Name: 9-(2,6-diaminopyrimidin-4-yl)-3-quinolin-3-ylnonanoic acid Traditional Name: 9-(2,6-diaminopyrimidin-4-yl)-3-(3-quinolyl)pelargonic acid Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(CCCCCCC3=CC(=NC(=N3)N)N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(CCCCCCC3=CC(=NC(=N3)N)N)CC(=O)O

InChI

InChI=1S/C22H27N5O2/c23-20-13-18(26-22(24)27-20)9-4-2-1-3-7-15(12-21(28)29)17-11-16-8-5-6-10-19(16)25-14-17/h5-6,8,10-11,13-15H,1-4,7,9,12H2,(H,28,29)(H4,23,24,26,27)