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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-dibenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-dibenzyl-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C26H23N5O4 MolecularWeight: 469.49192

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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)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4/c32-31(33)24-25(27-14-21-11-12-22-23(13-21)35-18-34-22)28-17-29-26(24)30(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-13,17H,14-16,18H2,(H,27,28,29)