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

Systemtic Name: 4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-8-11-13(19-10-5-3-9(4-6-10)15(20)21)17-7-18-14(11)24-12(8)16(22)23-2/h3-7H,1-2H3,(H,20,21)(H,17,18,19)