5-azanyl-N-tert-butyl-2-methylsulfanyl-4-(3-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-(3-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-(3-benzyloxyphenyl)-N-tert-butyl-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-N-tert-butyl-2-(methylthio)-4-(3-phenylmethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-N-tert-butyl-2-methylsulfanyl-4-(3-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-(3-benzoxyphenyl)-N-tert-butyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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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)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OCC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N4O2S2/c1-25(2,3)29-22(30)21-19(26)18-20(27-24(32-4)28-23(18)33-21)16-11-8-12-17(13-16)31-14-15-9-6-5-7-10-15/h5-13H,14,26H2,1-4H3,(H,29,30)