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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-(o-tolylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-[(2-methylphenyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-(2-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

InChI

InChI=1S/C22H26N4OS/c1-15-9-5-6-10-17(15)13-23-21(27)19-16(2)18-20(24-14-25-22(18)28-19)26-11-7-3-4-8-12-26/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,23,27)