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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NOC(=C3)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NOC(=C3)C

InChI

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