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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclohexyl-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-benzyl-2-[(3-chlorobenzyl)thio]-N-cyclohexyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C28H28ClN3O2S2 MolecularWeight: 538.12382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C28H28ClN3O2S2/c1-18-23-26(36-24(18)25(33)30-22-13-6-3-7-14-22)31-28(35-17-20-11-8-12-21(29)15-20)32(27(23)34)16-19-9-4-2-5-10-19/h2,4-5,8-12,15,22H,3,6-7,13-14,16-17H2,1H3,(H,30,33)