(3-chlorophenyl)methyl-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium

Systemtic Name: (3-chlorophenyl)methyl-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: (3-chlorophenyl)methyl-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (3-chlorophenyl)methyl-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylammonium IUPAC Name: (3-chlorophenyl)methyl-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylazanium Traditional Name: (6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-chlorobenzyl)-methyl-ammonium Formula: C19H21ClN3O3S+ MolecularWeight: 406.90634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+](C)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+](C)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H20ClN3O3S/c1-4-26-19(25)16-11(2)15-17(24)21-14(22-18(15)27-16)10-23(3)9-12-6-5-7-13(20)8-12/h5-8H,4,9-10H2,1-3H3,(H,21,22,24)/p+1