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

Systemtic Name: 5-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)O)C(=O)O)C

InChI

InChI=1S/C17H15N3O5S/c1-3-25-17(24)13-8(2)12-14(18-7-19-15(12)26-13)20-9-4-5-11(21)10(6-9)16(22)23/h4-7,21H,3H2,1-2H3,(H,22,23)(H,18,19,20)