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

Systemtic Name: 4-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-[(4-ethoxyphenyl)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(4-ethoxybenzyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

InChI

InChI=1S/C23H28N4O2S/c1-3-29-18-10-8-17(9-11-18)14-24-22(28)20-16(2)19-21(25-15-26-23(19)30-20)27-12-6-4-5-7-13-27/h8-11,15H,3-7,12-14H2,1-2H3,(H,24,28)