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

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-methyl-4-oxo-3-(2-oxolanylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-keto-5-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H32N2O4S2 MolecularWeight: 500.67328

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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=C(C=C4)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4S2/c1-6-31-24(30)21-16(2)20-22(34-21)27-25(28(23(20)29)14-19-8-7-13-32-19)33-15-17-9-11-18(12-10-17)26(3,4)5/h9-12,19H,6-8,13-15H2,1-5H3