1,1,2-tris(2-adamantyl)-3-[N'-(2-adamantyl)carbamimidoyl]-3-azanyl-guanidine

Systemtic Name: 1,1,2-tris(2-adamantyl)-3-[N'-(2-adamantyl)carbamimidoyl]-3-azanyl-guanidine Openeye Name: 1,1,2-tris(2-adamantyl)-3-[N'-(2-adamantyl)carbamimidoyl]-3-amino-guanidine CAS Name: 1,1,2-tris(2-adamantyl)-3-[2-adamantylimino(amino)methyl]-3-aminoguanidine IUPAC Name: 1,1,2-tris(2-adamantyl)-3-[N'-(2-adamantyl)carbamimidoyl]-3-aminoguanidine Traditional Name: 1,1,2-tris(2-adamantyl)-3-[N'-(2-adamantyl)amidino]-3-amino-guanidine Formula: C42H64N6 MolecularWeight: 652.99776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3N=C(N)N(C(=NC4C5CC6CC(C5)CC4C6)N(C7C8CC9CC(C8)CC7C9)C1C2CC3CC(C2)CC1C3)N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3N=C(N)N(C(=NC4C5CC6CC(C5)CC4C6)N(C7C8CC9CC(C8)CC7C9)C1C2CC3CC(C2)CC1C3)N

InChI

InChI=1S/C42H64N6/c43-41(45-37-29-5-21-1-22(7-29)8-30(37)6-21)48(44)42(46-38-31-9-23-2-24(11-31)12-32(38)10-23)47(39-33-13-25-3-26(15-33)16-34(39)14-25)40-35-17-27-4-28(19-35)20-36(40)18-27/h21-40H,1-20,44H2,(H2,43,45)