5-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 5-[(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-7-12-14(20-9-4-5-11(21)10(6-9)16(22)23)18-8(2)19-15(12)26-13(7)17(24)25-3/h4-6,21H,1-3H3,(H,22,23)(H,18,19,20)