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

Systemtic Name: 3-[(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[[6-ethyl-2-(methylthio)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(6-ethyl-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[[6-ethyl-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S2/c1-3-11-8-12-13(18-16(22-2)19-14(12)23-11)17-10-6-4-5-9(7-10)15(20)21/h4-8H,3H2,1-2H3,(H,20,21)(H,17,18,19)