2-(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(3-ethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(3-ethyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(3-ethyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC

InChI

InChI=1S/C21H25N3O2S2/c1-4-9-14(3)22-17(25)13-28-21-23-19-18(20(26)24(21)5-2)16(12-27-19)15-10-7-6-8-11-15/h6-8,10-12,14H,4-5,9,13H2,1-3H3,(H,22,25)/t14-/m0/s1