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

Systemtic Name: N6-(3-bromophenyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-bromophenyl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(3-bromophenyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-bromoanilino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H13BrN6O MolecularWeight: 361.19662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2N)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C14H13BrN6O/c1-8-5-11(21-22-8)20-14-12(16)13(17-7-18-14)19-10-4-2-3-9(15)6-10/h2-7H,16H2,1H3,(H2,17,18,19,20,21)