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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H16ClN5O6 MolecularWeight: 445.81324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4)Cl)OC

InChI

InChI=1S/C19H16ClN5O6/c1-28-14-7-15(29-2)12(6-11(14)20)24-19-17(25(26)27)18(21-8-22-19)23-10-3-4-13-16(5-10)31-9-30-13/h3-8H,9H2,1-2H3,(H2,21,22,23,24)