2-[[2-[[3-(2-methoxyethoxy)phenyl]amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[[3-(2-methoxyethoxy)phenyl]amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-[3-(2-methoxyethoxy)anilino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-[3-(2-methoxyethoxy)anilino]-6-methyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-(2-methoxyethoxy)anilino]-6-methylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-[3-(2-methoxyethoxy)anilino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OCCOC)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OCCOC)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N4O4/c1-14-12-19(24-18-9-4-3-8-17(18)20(26)27)25-21(22-14)23-15-6-5-7-16(13-15)29-11-10-28-2/h3-9,12-13H,10-11H2,1-2H3,(H,26,27)(H2,22,23,24,25)