2-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid

Systemtic Name: 2-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid Openeye Name: 2-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid CAS Name: 2-(2-ethoxy-5-pyrimidinyl)-9-[2-(ethylamino)-4-pyrimidinyl]nonanoic acid IUPAC Name: 2-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid Traditional Name: 2-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]pelargonic acid Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=CC(=N1)CCCCCCCC(C2=CN=C(N=C2)OCC)C(=O)O

Isomeric SMILES

CCNC1=NC=CC(=N1)CCCCCCCC(C2=CN=C(N=C2)OCC)C(=O)O

InChI

InChI=1S/C21H31N5O3/c1-3-22-20-23-13-12-17(26-20)10-8-6-5-7-9-11-18(19(27)28)16-14-24-21(25-15-16)29-4-2/h12-15,18H,3-11H2,1-2H3,(H,27,28)(H,22,23,26)