N4-tert-butyl-N6-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O4 MolecularWeight: 347.36904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H21N5O4/c1-16(2,3)20-15-13(21(22)23)14(17-9-18-15)19-11-8-10(24-4)6-7-12(11)25-5/h6-9H,1-5H3,(H2,17,18,19,20)