N6-(2,3-dimethylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O2/c1-19-10-9-15-23(20(19)2)29-25-24(31(32)33)26(28-18-27-25)30(16-21-11-5-3-6-12-21)17-22-13-7-4-8-14-22/h3-15,18H,16-17H2,1-2H3,(H,27,28,29)