2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S2/c1-6-8-9-10-13(3)21-16(24)12-26-20-22-18-17(14(4)15(5)27-18)19(25)23(20)11-7-2/h7,13H,2,6,8-12H2,1,3-5H3,(H,21,24)/t13-/m0/s1