2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=C(S2)CC)C(=O)N1CC=C

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C=C(S2)CC)C(=O)N1CC=C

InChI

InChI=1S/C18H25N3O2S2/c1-5-8-12(4)19-15(22)11-24-18-20-16-14(10-13(7-3)25-16)17(23)21(18)9-6-2/h6,10,12H,2,5,7-9,11H2,1,3-4H3,(H,19,22)/t12-/m0/s1