9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2,3-dihydro-1-benzofuran-6-yl)nonanoic acid

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2,3-dihydro-1-benzofuran-6-yl)nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2,3-dihydrobenzofuran-6-yl)nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(2,3-dihydrobenzofuran-6-yl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2,3-dihydro-1-benzofuran-6-yl)nonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-coumaran-6-yl-pelargonic acid Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)N)CCCCCCCC(C2=CC3=C(CCO3)C=C2)C(=O)O

Isomeric SMILES

CCNC1=NC(=CC(=N1)N)CCCCCCCC(C2=CC3=C(CCO3)C=C2)C(=O)O

InChI

InChI=1S/C23H32N4O3/c1-2-25-23-26-18(15-21(24)27-23)8-6-4-3-5-7-9-19(22(28)29)17-11-10-16-12-13-30-20(16)14-17/h10-11,14-15,19H,2-9,12-13H2,1H3,(H,28,29)(H3,24,25,26,27)