ethyl 2-[1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[1-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[1-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N5O3S3 MolecularWeight: 475.60744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2)C4=CC=CS4

InChI

InChI=1S/C20H21N5O3S3/c1-5-25-16(12-8-7-9-29-12)23-24-20(25)30-11(4)15-21-17(26)13-10(3)14(19(27)28-6-2)31-18(13)22-15/h7-9,11H,5-6H2,1-4H3,(H,21,22,26)