ethyl 2-[(3-bromophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)methylsulfanyl]-5-methyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-bromophenyl)methylthio]-5-methyl-4-oxo-3-(2-oxolanylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methylsulfanyl]-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(3-bromobenzyl)thio]-4-keto-5-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H23BrN2O4S2 MolecularWeight: 523.46302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3CCCO3)SCC4=CC(=CC=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3CCCO3)SCC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C22H23BrN2O4S2/c1-3-28-21(27)18-13(2)17-19(31-18)24-22(30-12-14-6-4-7-15(23)10-14)25(20(17)26)11-16-8-5-9-29-16/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3