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

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H14N6O5 MolecularWeight: 370.31956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H14N6O5/c1-9-6-13(21-27-9)20-16-14(22(23)24)15(17-8-18-16)19-10-2-3-11-12(7-10)26-5-4-25-11/h2-3,6-8H,4-5H2,1H3,(H2,17,18,19,20,21)