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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=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)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

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