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

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(6-methoxypyridin-3-yl)nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(6-methoxy-3-pyridyl)nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(6-methoxy-3-pyridinyl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(6-methoxypyridin-3-yl)nonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(6-methoxy-3-pyridyl)pelargonic acid Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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