[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-pyrrolidino-methanone Formula: C19H28N5OS+ MolecularWeight: 374.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C3C(=C(SC3=NC=N2)C(=O)N4CCCC4)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C3C(=C(SC3=NC=N2)C(=O)N4CCCC4)C

InChI

InChI=1S/C19H27N5OS/c1-3-23-10-6-7-14(23)11-20-17-15-13(2)16(26-18(15)22-12-21-17)19(25)24-8-4-5-9-24/h12,14H,3-11H2,1-2H3,(H,20,21,22)/p+1/t14-/m0/s1