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

Systemtic Name: N4-(4-butoxyphenyl)-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C24H29N5O3 MolecularWeight: 435.51876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OCCCC)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O3/c1-3-5-7-18-8-10-19(11-9-18)27-23-22(29(30)31)24(26-17-25-23)28-20-12-14-21(15-13-20)32-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3,(H2,25,26,27,28)