2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(2-methyl-4-pyrrolidino-phenyl)propionamide Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C(C)SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C(C)SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C23H28N4O2S2/c1-13-11-17(27-9-5-6-10-27)7-8-18(13)24-21(28)16(4)30-12-19-25-22(29)20-14(2)15(3)31-23(20)26-19/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H,24,28)(H,25,26,29)