4-(azepan-1-yl)-5-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-[2-[4-(methylthio)phenyl]ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-[2-[4-(methylthio)phenyl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N4OS2 MolecularWeight: 440.62462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C23H28N4OS2/c1-16-19-21(27-13-5-3-4-6-14-27)25-15-26-23(19)30-20(16)22(28)24-12-11-17-7-9-18(29-2)10-8-17/h7-10,15H,3-6,11-14H2,1-2H3,(H,24,28)