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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C17H14N6O4 MolecularWeight: 366.33086

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O4/c24-23(25)15-16(19-7-11-3-4-13-14(6-11)27-10-26-13)20-9-21-17(15)22-12-2-1-5-18-8-12/h1-6,8-9H,7,10H2,(H2,19,20,21,22)