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

Systemtic Name: 4-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 2-hydroxy-4-[(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 2-hydroxy-4-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoate Formula: C17H14N3O5S- MolecularWeight: 372.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-7-12-14(20-9-4-5-10(16(22)23)11(21)6-9)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)/p-1