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

Systemtic Name: N6-(2-ethoxyphenyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-ethoxyphenyl)-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-ethoxyphenyl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-ethoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4/c1-3-25-12-7-5-4-6-11(12)19-15-14(22(23)24)16(18-9-17-15)20-13-8-10(2)26-21-13/h4-9H,3H2,1-2H3,(H2,17,18,19,20,21)