tert-butyl N-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]carbamate

Systemtic Name: tert-butyl N-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]carbamate Openeye Name: tert-butyl N-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]carbamate CAS Name: N-[[1-oxo-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]carbamate Traditional Name: N-[2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoylamino]carbamic acid tert-butyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)OC(C)(C)C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C(=O)NNC(=O)OC(C)(C)C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C21H24N4O4S2/c1-12(17(26)24-25-20(28)29-21(2,3)4)30-11-15-22-18(27)16-14(10-31-19(16)23-15)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,24,26)(H,25,28)(H,22,23,27)