N-(3-chlorophenyl)-5-methyl-4-oxidanylidene-3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3-chlorophenyl)-5-methyl-4-oxidanylidene-3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chlorophenyl)-5-methyl-4-oxo-3-phenethyl-2-(2-pyridylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chlorophenyl)-5-methyl-4-oxo-3-phenethyl-2-(2-pyridinylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chlorophenyl)-5-methyl-4-oxo-3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-5-methyl-3-phenethyl-2-(2-pyridylmethylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C28H23ClN4O2S2 MolecularWeight: 547.09082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=N3)CCC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=N3)CCC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H23ClN4O2S2/c1-18-23-26(37-24(18)25(34)31-21-12-7-10-20(29)16-21)32-28(36-17-22-11-5-6-14-30-22)33(27(23)35)15-13-19-8-3-2-4-9-19/h2-12,14,16H,13,15,17H2,1H3,(H,31,34)