3-[[ethanoyl-(4-propan-2-yloxyphenyl)amino]-(1H-imidazol-5-ylmethyl)amino]benzenecarboximidamide dihydrochloride

Systemtic Name: 3-[[ethanoyl-(4-propan-2-yloxyphenyl)amino]-(1H-imidazol-5-ylmethyl)amino]benzenecarboximidamide dihydrochloride Openeye Name: 3-[(N-acetyl-4-isopropoxy-anilino)-(1H-imidazol-5-ylmethyl)amino]benzamidine dihydrochloride CAS Name: 3-[(N-acetyl-4-propan-2-yloxyanilino)-(1H-imidazol-5-ylmethyl)amino]benzenecarboximidamide dihydrochloride IUPAC Name: 3-[(N-acetyl-4-propan-2-yloxyanilino)-(1H-imidazol-5-ylmethyl)amino]benzenecarboximidamide dihydrochloride Traditional Name: 3-[(N-acetyl-4-isopropoxy-anilino)-(1H-imidazol-5-ylmethyl)amino]benzamidine dihydrochloride Formula: C22H28Cl2N6O2 MolecularWeight: 479.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N(C(=O)C)N(CC2=CN=CN2)C3=CC=CC(=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N(C(=O)C)N(CC2=CN=CN2)C3=CC=CC(=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C22H26N6O2.2ClH/c1-15(2)30-21-9-7-19(8-10-21)28(16(3)29)27(13-18-12-25-14-26-18)20-6-4-5-17(11-20)22(23)24;;/h4-12,14-15H,13H2,1-3H3,(H3,23,24)(H,25,26);2*1H