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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-[2-(m-tolyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-[2-(3-methylphenyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-[2-(m-tolyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

InChI

InChI=1S/C23H28N4OS/c1-16-8-7-9-18(14-16)10-11-24-22(28)20-17(2)19-21(25-15-26-23(19)29-20)27-12-5-3-4-6-13-27/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,24,28)