5-nitro-N4,N4,N6-tris(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N4,N6-tris(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4,N6-tribenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4,N6-tris(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N,6-N-tribenzyl-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O2/c31-30(32)23-24(26-16-20-10-4-1-5-11-20)27-19-28-25(23)29(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,26,27,28)