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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclohexyl-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-cyclohexyl-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C29H30ClN3O2S2 MolecularWeight: 552.1504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C29H30ClN3O2S2/c1-19-24-27(37-25(19)26(34)31-23-13-6-3-7-14-23)32-29(36-18-21-11-8-12-22(30)17-21)33(28(24)35)16-15-20-9-4-2-5-10-20/h2,4-5,8-12,17,23H,3,6-7,13-16,18H2,1H3,(H,31,34)