(2S)-N-(2-methylpropyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-methylpropyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(2-methylpropyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-isobutyl-propionamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-5-11-25-21(27)17-12-18(16-9-7-6-8-10-16)29-20(17)24-22(25)28-15(4)19(26)23-13-14(2)3/h5-10,12,14-15H,1,11,13H2,2-4H3,(H,23,26)/t15-/m0/s1