methyl 4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N(C)CCC#N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N(C)CCC#N)C(=O)OC

InChI

InChI=1S/C16H18N4O3S2/c1-9-12-14(24-8-11(21)20(3)7-5-6-17)18-10(2)19-15(12)25-13(9)16(22)23-4/h5,7-8H2,1-4H3