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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(CCCCCCCC3=CC(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(CCCCCCCC3=CC(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C22H27N5O2/c23-20-13-17(26-22(24)27-20)9-4-2-1-3-5-10-18(21(28)29)16-12-15-8-6-7-11-19(15)25-14-16/h6-8,11-14,18H,1-5,9-10H2,(H,28,29)(H4,23,24,26,27)