N6-[4-(1-adamantyl)phenyl]-N4-(4-bromophenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[4-(1-adamantyl)phenyl]-N4-(4-bromophenyl)pyrimidine-4,6-diamine Openeye Name: N6-[4-(1-adamantyl)phenyl]-N4-(4-bromophenyl)pyrimidine-4,6-diamine CAS Name: N6-[4-(1-adamantyl)phenyl]-N4-(4-bromophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[4-(1-adamantyl)phenyl]-4-N-(4-bromophenyl)pyrimidine-4,6-diamine Traditional Name: [6-[4-(1-adamantyl)anilino]pyrimidin-4-yl]-(4-bromophenyl)amine Formula: C26H27BrN4 MolecularWeight: 475.42338

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=CC(=NC=N5)NC6=CC=C(C=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=CC(=NC=N5)NC6=CC=C(C=C6)Br

InChI

InChI=1S/C26H27BrN4/c27-21-3-7-23(8-4-21)31-25-12-24(28-16-29-25)30-22-5-1-20(2-6-22)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,16-19H,9-11,13-15H2,(H2,28,29,30,31)