N-tert-butyl-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-tert-butyl-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-tert-butyl-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-tert-butyl-6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-tert-butyl-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: tert-butyl-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C15H17ClN4O3 MolecularWeight: 336.77348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C)(C)C)Cl

InChI

InChI=1S/C15H17ClN4O3/c1-9-7-10(5-6-11(9)16)23-14-12(20(21)22)13(17-8-18-14)19-15(2,3)4/h5-8H,1-4H3,(H,17,18,19)