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

Systemtic Name: 2-chloranyl-5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-chloro-5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-chloro-5-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-chloro-5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-chloro-5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O2S/c1-7-8(2)22-14-12(7)13(17-6-18-14)19-9-3-4-11(16)10(5-9)15(20)21/h3-6H,1-2H3,(H,20,21)(H,17,18,19)