4-[2-azanyl-6-[(3-ethyl-4-methyl-phenyl)amino]pyrimidin-4-yl]oxybenzoic acid

Systemtic Name: 4-[2-azanyl-6-[(3-ethyl-4-methyl-phenyl)amino]pyrimidin-4-yl]oxybenzoic acid Openeye Name: 4-[2-amino-6-(3-ethyl-4-methyl-anilino)pyrimidin-4-yl]oxybenzoic acid CAS Name: 4-[[2-amino-6-(3-ethyl-4-methylanilino)-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 4-[2-amino-6-(3-ethyl-4-methylanilino)pyrimidin-4-yl]oxybenzoic acid Traditional Name: 4-[2-amino-6-(3-ethyl-4-methyl-anilino)pyrimidin-4-yl]oxybenzoic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=NC(=N2)N)OC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=NC(=N2)N)OC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H20N4O3/c1-3-13-10-15(7-4-12(13)2)22-17-11-18(24-20(21)23-17)27-16-8-5-14(6-9-16)19(25)26/h4-11H,3H2,1-2H3,(H,25,26)(H3,21,22,23,24)