(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: (4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-2-oxolanyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]-(2-thenyl)ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+](CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

Isomeric SMILES

C1C[C@@H](OC1)C[NH+](CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

InChI

InChI=1S/C21H21N3O3S/c25-21-20-19(16-7-1-2-8-17(16)27-20)22-18(23-21)13-24(11-14-5-3-9-26-14)12-15-6-4-10-28-15/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,22,23,25)/p+1/t14-/m1/s1