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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O4/c31-30(32)23-24(26-14-17-11-12-20-21(13-17)34-16-33-20)27-15-28-25(23)29-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,15,22H,14,16H2,(H2,26,27,28,29)