N4-(4-butoxyphenyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O4/c1-3-4-13-30-18-11-7-16(8-12-18)25-21-19(26(27)28)20(22-14-23-21)24-15-5-9-17(29-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H2,22,23,24,25)