5-azanyl-1-tert-butyl-4-[3-(ethenylsulfonylamino)phenyl]-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-1-tert-butyl-4-[3-(ethenylsulfonylamino)phenyl]-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-tert-butyl-2-methylsulfanyl-4-[3-(vinylsulfonylamino)phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-1-tert-butyl-4-[3-(ethenylsulfonylamino)phenyl]-2-(methylthio)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-tert-butyl-4-[3-(ethenylsulfonylamino)phenyl]-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-tert-butyl-2-(methylthio)-4-[3-(vinylsulfonylamino)phenyl]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H25N5O3S3 MolecularWeight: 479.6392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NS(=O)(=O)C=C)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NS(=O)(=O)C=C)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C20H25N5O3S3/c1-6-31(27,28)24-12-9-7-8-11(10-12)15-13-14(21)16(17(22)26)30-18(13)25(20(2,3)4)19(23-15)29-5/h6-10,18,24H,1,21H2,2-5H3,(H2,22,26)