3-[[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: 3-[[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: 3-[[5-(4-fluorophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 3-[[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(4-fluorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Formula: C21H14FN2O3S- MolecularWeight: 393.410863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN2O3S/c1-12-17(14-5-7-16(22)8-6-14)18-19(28-12)23-11-24(20(18)25)10-13-3-2-4-15(9-13)21(26)27/h2-9,11H,10H2,1H3,(H,26,27)/p-1