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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-chloro-3-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-chloro-3-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-chloropyridin-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-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=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

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