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

Systemtic Name: ethyl 4-azanyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H20N6O2S3 MolecularWeight: 460.5961

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C4=CC=CS4

InChI

InChI=1S/C19H20N6O2S3/c1-4-25-16(11-7-6-8-28-11)23-24-19(25)29-9-12-21-15(20)13-10(3)14(18(26)27-5-2)30-17(13)22-12/h6-8H,4-5,9H2,1-3H3,(H2,20,21,22)