2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4Cl)SC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4Cl)SC=C3

InChI

InChI=1S/C21H22ClN3O2S2/c22-16-9-5-4-6-14(16)12-25-20(27)19-17(10-11-28-19)24-21(25)29-13-18(26)23-15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,23,26)