2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-phenylbutyl)propanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-phenylbutyl)propanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-phenylbutyl)propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(4-phenylbutyl)propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-phenylbutyl)propanamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(4-phenylbutyl)propionamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NCCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NCCCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2S2/c1-14-15(2)29-22-19(14)21(27)24-18(25-22)13-28-16(3)20(26)23-12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,16H,7-8,11-13H2,1-3H3,(H,23,26)(H,24,25,27)