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

Systemtic Name: 5-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C20H15N3O4S/c1-27-13-5-2-11(3-6-13)15-9-28-19-17(15)18(21-10-22-19)23-12-4-7-16(24)14(8-12)20(25)26/h2-10,24H,1H3,(H,25,26)(H,21,22,23)