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

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-benzyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-5-methyl-N-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-benzyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-benzyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5OS/c1-3-27-11-7-10-17(27)13-23-20-18-15(2)19(29-22(18)26-14-25-20)21(28)24-12-16-8-5-4-6-9-16/h4-6,8-9,14,17H,3,7,10-13H2,1-2H3,(H,24,28)(H,23,25,26)/p+1/t17-/m0/s1