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

Systemtic Name: N-tert-butyl-2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCC[NH+](CC4)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCC[NH+](CC4)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H33N5O2S/c1-14-18-15(2)24-20(16-7-8-16)25-21(18)31-19(14)22(30)28-10-6-9-27(11-12-28)13-17(29)26-23(3,4)5/h16H,6-13H2,1-5H3,(H,26,29)/p+1