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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O3/c1-18-14-21(12-13-22(18)26)33-25-23(30(31)32)24(27-17-28-25)29(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14,17H,15-16H2,1H3