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

Systemtic Name: N4-(4-butoxyphenyl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-5-nitro-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-phenylazophenyl)amine Formula: C26H25N7O3 MolecularWeight: 483.5218

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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)N=NC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C26H25N7O3/c1-2-3-17-36-23-15-13-20(14-16-23)30-26-24(33(34)35)25(27-18-28-26)29-19-9-11-22(12-10-19)32-31-21-7-5-4-6-8-21/h4-16,18H,2-3,17H2,1H3,(H2,27,28,29,30)