5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-hydroxy-5-[[6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-hydroxy-5-[[6-(2-methoxyethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-hydroxy-5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C18H16N3O6S- MolecularWeight: 402.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)O)C(=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)O)C(=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C18H17N3O6S/c1-9-13-15(21-10-3-4-12(22)11(7-10)17(23)24)19-8-20-16(13)28-14(9)18(25)27-6-5-26-2/h3-4,7-8,22H,5-6H2,1-2H3,(H,23,24)(H,19,20,21)/p-1