9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethoxypyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethoxypyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethoxypyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(2-ethoxy-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethoxypyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethoxypyrimidin-5-yl)pelargonic acid Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O3/c1-3-23-20-26-16(12-18(22)27-20)10-8-6-5-7-9-11-17(19(28)29)15-13-24-21(25-14-15)30-4-2/h12-14,17H,3-11H2,1-2H3,(H,28,29)(H3,22,23,26,27)