N-tert-butyl-2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C24H32N5OS+ MolecularWeight: 438.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC[NH+](CC3)CC(=O)NC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC[NH+](CC3)CC(=O)NC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5OS/c1-17-20-22(25-16-26-23(20)31-21(17)18-9-6-5-7-10-18)29-12-8-11-28(13-14-29)15-19(30)27-24(2,3)4/h5-7,9-10,16H,8,11-15H2,1-4H3,(H,27,30)/p+1