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

Systemtic Name: cycloheptyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: cycloheptyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: cycloheptyl-[[6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: cycloheptyl-[[6-(2-methoxyethoxycarbonyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: cycloheptyl-[[4-keto-6-(2-methoxyethoxycarbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C3CCCCCC3)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C3CCCCCC3)C(=O)OCCOC

InChI

InChI=1S/C19H27N3O4S/c1-12-15-17(23)21-14(11-20-13-7-5-3-4-6-8-13)22-18(15)27-16(12)19(24)26-10-9-25-2/h13,20H,3-11H2,1-2H3,(H,21,22,23)/p+1