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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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