N6-(2-chloranylpyridin-3-yl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(2-chloro-3-pyridyl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(2-chloro-3-pyridinyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(2-chloropyridin-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(2-chloro-3-pyridyl)amino]pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C13H12ClN7O MolecularWeight: 317.73368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN7O/c1-7-5-9(21-22-7)20-13-10(15)12(17-6-18-13)19-8-3-2-4-16-11(8)14/h2-6H,15H2,1H3,(H2,17,18,19,20,21)