N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-6-carboximidamide dihydrochloride

Systemtic Name: N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Openeye Name: N'-isopropyl-2-[4-(N'-isopropylcarbamimidoyl)phenyl]benzofuran-6-carboxamidine dihydrochloride CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]phenyl]-N'-propan-2-yl-6-benzofurancarboximidamide dihydrochloride IUPAC Name: N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Traditional Name: N'-isopropyl-2-[4-(N'-isopropylamidino)phenyl]benzofuran-6-carboxamidine dihydrochloride Formula: C22H28Cl2N4O MolecularWeight: 435.38992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(C=C1)C2=CC3=C(O2)C=C(C=C3)C(=NC(C)C)N)N.Cl.Cl

Isomeric SMILES

CC(C)N=C(C1=CC=C(C=C1)C2=CC3=C(O2)C=C(C=C3)C(=NC(C)C)N)N.Cl.Cl

InChI

InChI=1S/C22H26N4O.2ClH/c1-13(2)25-21(23)16-7-5-15(6-8-16)19-11-17-9-10-18(12-20(17)27-19)22(24)26-14(3)4;;/h5-14H,1-4H3,(H2,23,25)(H2,24,26);2*1H