ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-pyrrolidin-1-ylcarbothioylsulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-pyrrolidin-1-ylcarbothioylsulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrrolidine-1-carbothioylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrrolidine-1-carbothioylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(pyrrolidine-1-carbothioylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H21N3O3S3 MolecularWeight: 411.56194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC(=S)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC(=S)N3CCCC3)C

InChI

InChI=1S/C17H21N3O3S3/c1-4-23-16(22)12-9(2)11-14(21)18-13(19-15(11)26-12)10(3)25-17(24)20-7-5-6-8-20/h10H,4-8H2,1-3H3,(H,18,19,21)/t10-/m0/s1