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

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(4-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H29FN2O3S2 MolecularWeight: 524.669863

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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)SCC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C28H29FN2O3S2/c1-6-34-26(33)23-17(2)22-24(36-23)30-27(31(25(22)32)15-18-9-13-21(29)14-10-18)35-16-19-7-11-20(12-8-19)28(3,4)5/h7-14H,6,15-16H2,1-5H3