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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC(C)C3=CC=CC=C3)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-5-11-25-21(27)19-15(3)16(4)29-20(19)24-22(25)28-13-18(26)23-12-14(2)17-9-7-6-8-10-17/h5-10,14H,1,11-13H2,2-4H3,(H,23,26)/t14-/m1/s1