(3R)-9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-3-quinoxalin-2-yl-nonanoic acid

Systemtic Name: (3R)-9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-3-quinoxalin-2-yl-nonanoic acid Openeye Name: (3R)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-quinoxalin-2-yl-nonanoic acid CAS Name: (3R)-9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-3-(2-quinoxalinyl)nonanoic acid IUPAC Name: (3R)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-quinoxalin-2-ylnonanoic acid Traditional Name: (3R)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-quinoxalin-2-yl-pelargonic acid Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)N)CCCCCCC(CC(=O)O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCNC1=NC(=CC(=N1)N)CCCCCC[C@H](CC(=O)O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C23H30N6O2/c1-2-25-23-27-17(14-21(24)29-23)10-6-4-3-5-9-16(13-22(30)31)20-15-26-18-11-7-8-12-19(18)28-20/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3,(H,30,31)(H3,24,25,27,29)/t16-/m1/s1