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

Systemtic Name: 4-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-methoxyethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-10-13-15(21-12-5-3-11(4-6-12)17(22)23)19-9-20-16(13)27-14(10)18(24)26-8-7-25-2/h3-6,9H,7-8H2,1-2H3,(H,22,23)(H,19,20,21)