(2S)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propyl-propanamide

Systemtic Name: (2S)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-propyl-propionamide Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S2/c1-3-10-19-15(22)12(2)25-18-20-16-14(9-11-24-16)17(23)21(18)13-7-5-4-6-8-13/h4-9,11-12H,3,10H2,1-2H3,(H,19,22)/t12-/m0/s1