6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C26H23ClN4O3 MolecularWeight: 474.93882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H23ClN4O3/c1-18-13-22(14-19(2)23(18)27)34-26-24(31(32)33)25(28-17-29-26)30(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,17H,15-16H2,1-2H3