(3S)-3-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid

Systemtic Name: (3S)-3-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid Openeye Name: (3S)-3-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid CAS Name: (3S)-3-(2-ethoxy-5-pyrimidinyl)-9-[2-(ethylamino)-4-pyrimidinyl]nonanoic acid IUPAC Name: (3S)-3-(2-ethoxypyrimidin-5-yl)-9-[2-(ethylamino)pyrimidin-4-yl]nonanoic acid Traditional Name: (3S)-3-(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)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-3-22-20-23-12-11-18(26-20)10-8-6-5-7-9-16(13-19(27)28)17-14-24-21(25-15-17)29-4-2/h11-12,14-16H,3-10,13H2,1-2H3,(H,27,28)(H,22,23,26)/t16-/m0/s1