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

Systemtic Name: cyclooctyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: cyclooctyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: cyclooctyl-[[6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: cyclooctyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: cyclooctyl-[[4-keto-6-(2-methoxyethoxycarbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C3CCCCCCC3)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C3CCCCCCC3)C(=O)OCCOC

InChI

InChI=1S/C20H29N3O4S/c1-13-16-18(24)22-15(12-21-14-8-6-4-3-5-7-9-14)23-19(16)28-17(13)20(25)27-11-10-26-2/h14,21H,3-12H2,1-2H3,(H,22,23,24)/p+1