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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=C(N)N(C(=NC45CC6CC(C4)CC(C6)C5)N(C78CC9CC(C7)CC(C9)C8)C12CC3CC(C1)CC(C3)C2)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N=C(N)N(C(=NC45CC6CC(C4)CC(C6)C5)N(C78CC9CC(C7)CC(C9)C8)C12CC3CC(C1)CC(C3)C2)N

InChI

InChI=1S/C42H64N6/c43-37(45-39-13-25-1-26(14-39)3-27(2-25)15-39)47(44)38(46-40-16-28-4-29(17-40)6-30(5-28)18-40)48(41-19-31-7-32(20-41)9-33(8-31)21-41)42-22-34-10-35(23-42)12-36(11-34)24-42/h25-36H,1-24,44H2,(H2,43,45)