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

Systemtic Name: 4-(azepan-1-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-[(5-bromo-2-methoxy-phenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(5-bromo-2-methoxy-benzyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O2S/c1-14-18-20(27-9-5-3-4-6-10-27)25-13-26-22(18)30-19(14)21(28)24-12-15-11-16(23)7-8-17(15)29-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,28)