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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

InChI

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