2-[quinolin-3-yl-(2,3,4-trimethoxy-5-phenylazanyl-pyrimidin-4-yl)amino]ethanoic acid

Systemtic Name: 2-[quinolin-3-yl-(2,3,4-trimethoxy-5-phenylazanyl-pyrimidin-4-yl)amino]ethanoic acid Openeye Name: 2-[(5-anilino-2,3,4-trimethoxy-pyrimidin-4-yl)-(3-quinolyl)amino]acetic acid CAS Name: 2-[(5-anilino-2,3,4-trimethoxy-4-pyrimidinyl)-(3-quinolinyl)amino]acetic acid IUPAC Name: 2-[(5-anilino-2,3,4-trimethoxypyrimidin-4-yl)-quinolin-3-ylamino]acetic acid Traditional Name: 2-[(5-anilino-2,3,4-trimethoxy-pyrimidin-4-yl)-(3-quinolyl)amino]acetic acid Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(N1OC)(N(CC(=O)O)C2=CC3=CC=CC=C3N=C2)OC)NC4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C(N1OC)(N(CC(=O)O)C2=CC3=CC=CC=C3N=C2)OC)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O5/c1-32-23-26-15-21(27-18-10-5-4-6-11-18)24(33-2,29(23)34-3)28(16-22(30)31)19-13-17-9-7-8-12-20(17)25-14-19/h4-15,27H,16H2,1-3H3,(H,30,31)