N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H22ClN5O2 MolecularWeight: 459.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN5O2/c1-18-12-13-21(26)14-22(18)29-24-23(31(32)33)25(28-17-27-24)30(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14,17H,15-16H2,1H3,(H,27,28,29)