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

Systemtic Name: 5-nitro-N4,N4,N6,N6-tetrakis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4,N6,N6-tetrabenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4,N6,N6-tetrakis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N,6-N,6-N-tetrabenzyl-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C32H29N5O2 MolecularWeight: 515.60496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H29N5O2/c38-37(39)30-31(35(21-26-13-5-1-6-14-26)22-27-15-7-2-8-16-27)33-25-34-32(30)36(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20,25H,21-24H2