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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(5-p-phenetylthieno[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=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)C(=O)O)C

InChI

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