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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5/c23-22(24)15-16(18-7-11-3-4-13-14(6-11)27-10-26-13)20-9-21-17(15)19-8-12-2-1-5-25-12/h1-6,9H,7-8,10H2,(H2,18,19,20,21)