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

Systemtic Name: 4-methyl-3-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-methyl-3-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-methyl-3-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-methyl-3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-methyl-3-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C=C(SC3=NC(=N2)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C=C(SC3=NC(=N2)C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-12-8-9-15(21(25)26)10-17(12)24-19-16-11-18(14-6-4-3-5-7-14)27-20(16)23-13(2)22-19/h3-11H,1-2H3,(H,25,26)(H,22,23,24)