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

Systemtic Name: N6-(3-chloranyl-2-methyl-phenyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-2-methyl-phenyl)-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-2-methylphenyl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C15H13ClN6O3 MolecularWeight: 360.75512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C15H13ClN6O3/c1-8-6-12(21-25-8)20-15-13(22(23)24)14(17-7-18-15)19-11-5-3-4-10(16)9(11)2/h3-7H,1-2H3,(H2,17,18,19,20,21)