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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

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