2-tert-butyl-4,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-4,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-4,5-dimethyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-4,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H31N4O2S2+ MolecularWeight: 459.64784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H30N4O2S2/c1-14-18-15(2)25-22(23(3,4)5)26-21(18)31-19(14)20(28)24-13-16(17-7-6-12-30-17)27-8-10-29-11-9-27/h6-7,12,16H,8-11,13H2,1-5H3,(H,24,28)/p+1/t16-/m0/s1