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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-15-8-9-16(2)18(12-15)13-24-22(28)20-17(3)19-21(25-14-26-23(19)29-20)27-10-6-4-5-7-11-27/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,24,28)