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

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-quinoxalin-2-yl-nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-quinoxalin-2-yl-nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(2-quinoxalinyl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-quinoxalin-2-ylnonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-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)CCCCCCCC(C2=NC3=CC=CC=C3N=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O2/c1-2-25-23-27-16(14-21(24)29-23)10-6-4-3-5-7-11-17(22(30)31)20-15-26-18-12-8-9-13-19(18)28-20/h8-9,12-15,17H,2-7,10-11H2,1H3,(H,30,31)(H3,24,25,27,29)