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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-[[4-(methylthio)phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-[4-(methylthio)benzyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4OS2 MolecularWeight: 426.59804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C22H26N4OS2/c1-15-18-20(26-11-5-3-4-6-12-26)24-14-25-22(18)29-19(15)21(27)23-13-16-7-9-17(28-2)10-8-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,23,27)