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

Systemtic Name: 4-[[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 4-[[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-fluorophenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 4-[[5-(4-fluorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C20H13FN3O2S- MolecularWeight: 378.399523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)F)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)F)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H14FN3O2S/c1-11-22-18(24-15-8-4-13(5-9-15)20(25)26)17-16(10-27-19(17)23-11)12-2-6-14(21)7-3-12/h2-10H,1H3,(H,25,26)(H,22,23,24)/p-1