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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloranylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-chloropyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-chloro-2-pyridyl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN6O4/c18-11-2-4-14(19-7-11)23-17-15(24(25)26)16(21-8-22-17)20-6-10-1-3-12-13(5-10)28-9-27-12/h1-5,7-8H,6,9H2,(H2,19,20,21,22,23)