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

Systemtic Name: N4-tert-butyl-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-10-6-7-12(24-5)11(8-10)19-14-13(21(22)23)15(18-9-17-14)20-16(2,3)4/h6-9H,1-5H3,(H2,17,18,19,20)