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

Systemtic Name: N6-(2-methoxy-5-methyl-phenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxy-5-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3/c1-19-13-14-23(34-2)22(15-19)29-25-24(31(32)33)26(28-18-27-25)30(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15,18H,16-17H2,1-2H3,(H,27,28,29)