N6-(1,3-benzodioxol-5-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O6/c1-27-12-4-6-14(28-2)13(8-12)23-19-17(24(25)26)18(20-9-21-19)22-11-3-5-15-16(7-11)30-10-29-15/h3-9H,10H2,1-2H3,(H2,20,21,22,23)