5-azanyl-4-[3-[2-(azetidin-1-yl)ethanoylamino]phenyl]-N-tert-butyl-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-4-[3-[2-(azetidin-1-yl)ethanoylamino]phenyl]-N-tert-butyl-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-N-tert-butyl-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-[3-[[2-(1-azetidinyl)-1-oxoethyl]amino]phenyl]-N-tert-butyl-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-N-tert-butyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N6O2S2 MolecularWeight: 484.63742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)NC(=O)CN4CCC4)N

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)NC(=O)CN4CCC4)N

InChI

InChI=1S/C23H28N6O2S2/c1-23(2,3)28-20(31)19-17(24)16-18(26-22(32-4)27-21(16)33-19)13-7-5-8-14(11-13)25-15(30)12-29-9-6-10-29/h5,7-8,11H,6,9-10,12,24H2,1-4H3,(H,25,30)(H,28,31)