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

Systemtic Name: ethyl 2-[1-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[1-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[1-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NN=NN3C4=C(C=C(C=C4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NN=NN3C4=C(C=C(C=C4)C)C)C

InChI

InChI=1S/C21H22N6O3S2/c1-6-30-20(29)16-12(4)15-18(28)22-17(23-19(15)32-16)13(5)31-21-24-25-26-27(21)14-8-7-10(2)9-11(14)3/h7-9,13H,6H2,1-5H3,(H,22,23,28)