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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-fluoro-anilino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H12ClFN6O MolecularWeight: 334.736083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClFN6O/c1-7-4-11(22-23-7)21-14-12(17)13(18-6-19-14)20-8-2-3-10(16)9(15)5-8/h2-6H,17H2,1H3,(H2,18,19,20,21,22)