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

Systemtic Name: 5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C22H19N3O4S/c1-3-29-15-7-4-13(5-8-15)18-12(2)30-21-19(18)20(23-11-24-21)25-14-6-9-17(26)16(10-14)22(27)28/h4-11,26H,3H2,1-2H3,(H,27,28)(H,23,24,25)