N'-propan-2-yl-2-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-6-carboximidamide dihydrochloride

Systemtic Name: N'-propan-2-yl-2-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Openeye Name: N'-isopropyl-2-[3-(N'-isopropylcarbamimidoyl)phenyl]benzofuran-6-carboxamidine dihydrochloride CAS Name: 2-[3-[amino(propan-2-ylimino)methyl]phenyl]-N'-propan-2-yl-6-benzofurancarboximidamide dihydrochloride IUPAC Name: N'-propan-2-yl-2-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Traditional Name: N'-isopropyl-2-[3-(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=CC2=C(C=C1)C=C(O2)C3=CC(=CC=C3)C(=NC(C)C)N)N.Cl.Cl

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)C=C(O2)C3=CC(=CC=C3)C(=NC(C)C)N)N.Cl.Cl

InChI

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