methyl 3-azanyl-2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 3-azanyl-2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-amino-2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-2-[(3-fluorophenyl)methylthio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-2-[(3-fluorobenzyl)thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H14FN3O3S2 MolecularWeight: 379.429063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)N)C(=O)OC

InChI

InChI=1S/C16H14FN3O3S2/c1-8-11-13(25-12(8)15(22)23-2)19-16(20(18)14(11)21)24-7-9-4-3-5-10(17)6-9/h3-6H,7,18H2,1-2H3