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

Systemtic Name: 2-(cyanomethylsulfanyl)-N,N-diethyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N,N-diethyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-(cyanomethylthio)-N,N-diethyl-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N,N-diethyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-(cyanomethylthio)-N,N-diethyl-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC#N)C

InChI

InChI=1S/C22H24N4O2S2/c1-4-25(5-2)21(28)18-15(3)17-19(30-18)24-22(29-14-12-23)26(20(17)27)13-11-16-9-7-6-8-10-16/h6-10H,4-5,11,13-14H2,1-3H3