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

Systemtic Name: N6-(3,5-dimethylphenyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,5-dimethylphenyl)-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,5-dimethylphenyl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N6O3/c1-9-4-10(2)6-12(5-9)19-15-14(22(23)24)16(18-8-17-15)20-13-7-11(3)25-21-13/h4-8H,1-3H3,(H2,17,18,19,20,21)