N4-(1-adamantyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C26H27N5O3/c32-31(33)23-24(29-20-6-8-22(9-7-20)34-21-4-2-1-3-5-21)27-16-28-25(23)30-26-13-17-10-18(14-26)12-19(11-17)15-26/h1-9,16-19H,10-15H2,(H2,27,28,29,30)