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

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-isopropyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-5-methyl-N-propan-2-yl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-isopropyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H28N5OS+ MolecularWeight: 362.51282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5OS/c1-5-23-8-6-7-13(23)9-19-16-14-12(4)15(17(24)22-11(2)3)25-18(14)21-10-20-16/h10-11,13H,5-9H2,1-4H3,(H,22,24)(H,19,20,21)/p+1/t13-/m0/s1