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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylammonium IUPAC Name: (4-ethoxy-3-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-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)OC

InChI

InChI=1S/C21H25N3O5S/c1-6-29-14-8-7-13(9-15(14)27-4)10-24(3)11-16-22-19(25)17-12(2)18(21(26)28-5)30-20(17)23-16/h7-9H,6,10-11H2,1-5H3,(H,22,23,25)/p+1