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

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-2-(phenacylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-fluorobenzyl)-4-keto-5-methyl-2-(phenacylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H21FN2O4S2 MolecularWeight: 496.573643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21FN2O4S2/c1-3-32-24(31)21-15(2)20-22(34-21)27-25(33-14-19(29)17-7-5-4-6-8-17)28(23(20)30)13-16-9-11-18(26)12-10-16/h4-12H,3,13-14H2,1-2H3