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

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)O)C

InChI

InChI=1S/C22H27N3O3S2/c1-11-12(2)30-21-18(11)20(28)24-17(25-21)10-29-13(3)19(27)23-15-9-14(22(4,5)6)7-8-16(15)26/h7-9,13,26H,10H2,1-6H3,(H,23,27)(H,24,25,28)