4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-hydroxy-4-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-hydroxy-4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-hydroxy-4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C20H14N3O3S- MolecularWeight: 376.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)C(=O)[O-])O

InChI

InChI=1S/C20H15N3O3S/c1-11-2-4-12(5-3-11)15-9-27-19-17(15)18(21-10-22-19)23-13-6-7-14(20(25)26)16(24)8-13/h2-10,24H,1H3,(H,25,26)(H,21,22,23)/p-1