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

Systemtic Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-8-4-5-11(16(20)21)6-12(8)19-14-13-9(2)10(3)22-15(13)18-7-17-14/h4-7H,1-3H3,(H,20,21)(H,17,18,19)