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

Systemtic Name: 4-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(=O)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(=O)O)C(=O)OCC(C)C

InChI

InChI=1S/C19H19N3O4S/c1-10(2)8-26-19(25)15-11(3)14-16(20-9-21-17(14)27-15)22-13-6-4-12(5-7-13)18(23)24/h4-7,9-10H,8H2,1-3H3,(H,23,24)(H,20,21,22)