2-(cyanomethylsulfanyl)-N-cyclohexyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclohexyl-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-(cyanomethylthio)-N-cyclohexyl-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C24H26N4O2S2/c1-16-19-22(32-20(16)21(29)26-18-10-6-3-7-11-18)27-24(31-15-13-25)28(23(19)30)14-12-17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-12,14-15H2,1H3,(H,26,29)