2-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboximidamide

Systemtic Name: 2-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboximidamide Openeye Name: 2-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboxamidine CAS Name: 2-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methylpentyl]-5-benzotriazolecarboximidamide IUPAC Name: 2-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methylpentyl]benzotriazole-5-carboximidamide Traditional Name: 2-[1-(6-amidino-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboxamidine Formula: C21H25N9 MolecularWeight: 403.4835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C(=N)N)N3N=C4C=CC(=CC4=N3)C(=N)N

Isomeric SMILES

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C(=N)N)N3N=C4C=CC(=CC4=N3)C(=N)N

InChI

InChI=1S/C21H25N9/c1-11(2)3-8-18(21-26-14-6-4-12(19(22)23)9-16(14)27-21)30-28-15-7-5-13(20(24)25)10-17(15)29-30/h4-7,9-11,18H,3,8H2,1-2H3,(H3,22,23)(H3,24,25)(H,26,27)