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

Systemtic Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O2S/c1-12-16(13-6-3-2-4-7-13)17-18(21-11-22-19(17)26-12)23-15-9-5-8-14(10-15)20(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23)