4-[[5-azanyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-[(5-methyl-3-isoxazolyl)amino]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoic acid Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N6O3/c1-8-6-11(21-24-8)20-14-12(16)13(17-7-18-14)19-10-4-2-9(3-5-10)15(22)23/h2-7H,16H2,1H3,(H,22,23)(H2,17,18,19,20,21)