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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCC[NH+](CC4)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCC[NH+](CC4)CC(=O)NC(C)(C)C

InChI

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