(2S)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenethyl-propanamide

Systemtic Name: (2S)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenethyl-propanamide Openeye Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenethyl-propanamide CAS Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-phenethylpropanamide IUPAC Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenethylpropanamide Traditional Name: (2S)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-phenethyl-propionamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CS[C@@H](C)C(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H23N3O2S2/c1-12-13(2)27-20-17(12)19(25)22-16(23-20)11-26-14(3)18(24)21-10-9-15-7-5-4-6-8-15/h4-8,14H,9-11H2,1-3H3,(H,21,24)(H,22,23,25)/t14-/m0/s1