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

Systemtic Name: N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[3-(4-fluorobenzyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetamide Formula: C21H22FN3O2S2 MolecularWeight: 431.546683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)F)SC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)F)SC=C3

InChI

InChI=1S/C21H22FN3O2S2/c22-15-8-6-14(7-9-15)12-25-20(27)19-17(10-11-28-19)24-21(25)29-13-18(26)23-16-4-2-1-3-5-16/h6-11,16H,1-5,12-13H2,(H,23,26)