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

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-[2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-5-methyl-N-(2-thiophen-2-ylethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-[2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H28N5OS2+ MolecularWeight: 430.60992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C3C(=C(SC3=NC=N2)C(=O)NCCC4=CC=CS4)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C3C(=C(SC3=NC=N2)C(=O)NCCC4=CC=CS4)C

InChI

InChI=1S/C21H27N5OS2/c1-3-26-10-4-6-15(26)12-23-19-17-14(2)18(29-21(17)25-13-24-19)20(27)22-9-8-16-7-5-11-28-16/h5,7,11,13,15H,3-4,6,8-10,12H2,1-2H3,(H,22,27)(H,23,24,25)/p+1/t15-/m0/s1