N-cyclohexyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-cyclohexyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-cyclohexyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-N,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-cyclohexyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cyclohexyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H34N5OS+ MolecularWeight: 416.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C3C(=C(SC3=NC=N2)C(=O)N(C)C4CCCCC4)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C3C(=C(SC3=NC=N2)C(=O)N(C)C4CCCCC4)C

InChI

InChI=1S/C22H33N5OS/c1-4-27-12-8-11-17(27)13-23-20-18-15(2)19(29-21(18)25-14-24-20)22(28)26(3)16-9-6-5-7-10-16/h14,16-17H,4-13H2,1-3H3,(H,23,24,25)/p+1/t17-/m0/s1