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

Systemtic Name: N6-(4-butoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O4/c1-2-3-17-34-21-13-9-19(10-14-21)29-25-24(31(32)33)26(28-18-27-25)30-20-11-15-23(16-12-20)35-22-7-5-4-6-8-22/h4-16,18H,2-3,17H2,1H3,(H2,27,28,29,30)