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

Systemtic Name: [6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium CAS Name: [6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-keto-6-(2-methoxyethoxycarbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13-16-18(24)21-15(12-23(2)11-14-7-5-4-6-8-14)22-19(16)28-17(13)20(25)27-10-9-26-3/h4-8H,9-12H2,1-3H3,(H,21,22,24)/p+1