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

Systemtic Name: 2-chloranyl-5-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-chloro-5-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-chloro-5-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-chloro-5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-chloro-5-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H14ClN3O2S/c1-3-10-7-12-14(18-8(2)19-15(12)23-10)20-9-4-5-13(17)11(6-9)16(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H,18,19,20)