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

Systemtic Name: 5-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C21H17N3O3S/c1-11-3-5-13(6-4-11)17-12(2)28-20-18(17)19(22-10-23-20)24-14-7-8-16(25)15(9-14)21(26)27/h3-10,25H,1-2H3,(H,26,27)(H,22,23,24)