N2,N4,N6-tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2,N4,N6-tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2,N4,N6-tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2,N4,N6-tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N,4-N,6-N-tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: 1-adamantyl-[4,6-bis(1-adamantylamino)-s-triazin-2-yl]amine Formula: C33H48N6 MolecularWeight: 528.77442

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)NC56CC7CC(C5)CC(C7)C6)NC89CC1CC(C8)CC(C1)C9

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)NC56CC7CC(C5)CC(C7)C6)NC89CC1CC(C8)CC(C1)C9

InChI

InChI=1S/C33H48N6/c1-19-2-21-3-20(1)11-31(10-19,12-21)37-28-34-29(38-32-13-22-4-23(14-32)6-24(5-22)15-32)36-30(35-28)39-33-16-25-7-26(17-33)9-27(8-25)18-33/h19-27H,1-18H2,(H3,34,35,36,37,38,39)