2-tert-butyl-4,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-4,5-dimethyl-N-[2-(p-tolylsulfanyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-4,5-dimethyl-N-[2-[(4-methylphenyl)thio]ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-4,5-dimethyl-N-[2-(p-tolylthio)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C3=C(N=C(N=C3S2)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C3=C(N=C(N=C3S2)C(C)(C)C)C)C

InChI

InChI=1S/C22H27N3OS2/c1-13-7-9-16(10-8-13)27-12-11-23-19(26)18-14(2)17-15(3)24-21(22(4,5)6)25-20(17)28-18/h7-10H,11-12H2,1-6H3,(H,23,26)