(2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pentyl-propanamide

Systemtic Name: (2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pentyl-propanamide Openeye Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pentyl-propanamide CAS Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-pentylpropanamide IUPAC Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pentylpropanamide Traditional Name: (2S)-N-amyl-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCCCNC(=O)[C@H](C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C21H25N3O2S2/c1-3-4-8-11-22-19(25)14(2)27-13-17-23-20(26)18-16(12-28-21(18)24-17)15-9-6-5-7-10-15/h5-7,9-10,12,14H,3-4,8,11,13H2,1-2H3,(H,22,25)(H,23,24,26)/t14-/m0/s1