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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-benzyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H20N6O4 MolecularWeight: 456.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O4/c31-30(32)22-23(26-13-18-9-10-19-20(12-18)34-16-33-19)27-15-28-24(22)29(21-8-4-5-11-25-21)14-17-6-2-1-3-7-17/h1-12,15H,13-14,16H2,(H,26,27,28)