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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-(pyrrolidine-1-carbothioylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-(pyrrolidine-1-carbothioylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(pyrrolidine-1-carbothioylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S3/c1-3-22-15(21)12-9(2)11-13(20)17-10(18-14(11)25-12)8-24-16(23)19-6-4-5-7-19/h3-8H2,1-2H3,(H,17,18,20)