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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-3-28-17-9-7-14(8-10-17)18-13(2)29-21-19(18)20(23-12-24-21)25-16-6-4-5-15(11-16)22(26)27/h4-12H,3H2,1-2H3,(H,26,27)(H,23,24,25)