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

Systemtic Name: 3-[(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)O)N3CCOCC3

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)O)N3CCOCC3

InChI

InChI=1S/C16H18N4O3/c1-11-17-14(10-15(18-11)20-5-7-23-8-6-20)19-13-4-2-3-12(9-13)16(21)22/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H,17,18,19)