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

Systemtic Name: 3-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-8-12-14(20-11-6-4-5-10(7-11)16(21)22)18-9(2)19-15(12)25-13(8)17(23)24-3/h4-7H,1-3H3,(H,21,22)(H,18,19,20)