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

Systemtic Name: 5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-2-28-14-6-3-12(4-7-14)16-10-29-20-18(16)19(22-11-23-20)24-13-5-8-17(25)15(9-13)21(26)27/h3-11,25H,2H2,1H3,(H,26,27)(H,22,23,24)