6-(3,5-dimethylphenoxy)-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C26H24N4O3 MolecularWeight: 440.49376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N4O3/c1-19-13-20(2)15-23(14-19)33-26-24(30(31)32)25(27-18-28-26)29(16-21-9-5-3-6-10-21)17-22-11-7-4-8-12-22/h3-15,18H,16-17H2,1-2H3