ethyl 2-(cyanomethylsulfanyl)-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(cyanomethylthio)-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC#N)C

InChI

InChI=1S/C20H19N3O3S2/c1-4-26-19(25)16-13(3)15-17(28-16)22-20(27-10-9-21)23(18(15)24)11-14-7-5-12(2)6-8-14/h5-8H,4,10-11H2,1-3H3