(3-fluoranyl-4-methoxy-phenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylazanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C19H21FN3O4S+ MolecularWeight: 406.451143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC(=C(C=C3)OC)F)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC(=C(C=C3)OC)F)C(=O)OC

InChI

InChI=1S/C19H20FN3O4S/c1-10-15-17(24)21-14(22-18(15)28-16(10)19(25)27-4)9-23(2)8-11-5-6-13(26-3)12(20)7-11/h5-7H,8-9H2,1-4H3,(H,21,22,24)/p+1