[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-azanyl-4-fluoranyl-benzoate Openeye Name: [6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=C(C=C4)F)N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=C(C=C4)F)N)C

InChI

InChI=1S/C22H18FN3O3S/c1-11-3-5-13(6-4-11)18-12(2)30-21-19(18)20(27)25-17(26-21)10-29-22(28)15-8-7-14(23)9-16(15)24/h3-9H,10,24H2,1-2H3,(H,25,26,27)