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

Systemtic Name: 2-chloranyl-5-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-chloro-5-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-chloro-5-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-chloro-5-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 5-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-chloro-benzoic acid Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c1-7-11-13(18-6-19-14(11)25-12(7)16(23)24-2)20-8-3-4-10(17)9(5-8)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)