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

Systemtic Name: N6-(4-ethylphenyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethylphenyl)-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethylphenyl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

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