2-[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(2-tert-butyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C24H36N5O2S+ MolecularWeight: 458.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H35N5O2S/c1-16-19-17(2)25-23(24(3,4)5)26-21(19)32-20(16)22(31)29-13-11-27(12-14-29)15-18(30)28-9-7-6-8-10-28/h6-15H2,1-5H3/p+1