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

Systemtic Name: 5-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C23H19N3O5S MolecularWeight: 449.47906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)O)C(=O)O)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)O)C(=O)O)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-13-18-20(26-15-7-8-17(27)16(11-15)22(28)29)24-12-25-21(18)32-19(13)23(30)31-10-9-14-5-3-2-4-6-14/h2-8,11-12,27H,9-10H2,1H3,(H,28,29)(H,24,25,26)