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

Systemtic Name: N4-tert-butyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: tert-butyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c1-20(2,3)24-19-17(25(26)27)18(21-13-22-19)23-14-9-11-16(12-10-14)28-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,21,22,23,24)