tert-butyl 2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetate CAS Name: 2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetate Traditional Name: 2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetic acid tert-butyl ester Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CC(=O)OC(C)(C)C)C2=NC3=C(N2)C=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(N=CN1CC(=O)OC(C)(C)C)C2=NC3=C(N2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C18H22N6O2/c1-10-15(21-9-24(10)8-14(25)26-18(2,3)4)17-22-12-6-5-11(16(19)20)7-13(12)23-17/h5-7,9H,8H2,1-4H3,(H3,19,20)(H,22,23)