3-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboximidamide

Systemtic Name: 3-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboximidamide Openeye Name: 3-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboxamidine CAS Name: 3-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methylpentyl]-5-benzotriazolecarboximidamide IUPAC Name: 3-[1-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methylpentyl]benzotriazole-5-carboximidamide Traditional Name: 3-[1-(6-amidino-1H-benzimidazol-2-yl)-4-methyl-pentyl]benzotriazole-5-carboxamidine Formula: C21H25N9 MolecularWeight: 403.4835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C(=N)N)N3C4=C(C=CC(=C4)C(=N)N)N=N3

Isomeric SMILES

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C(=N)N)N3C4=C(C=CC(=C4)C(=N)N)N=N3

InChI

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