2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide

Systemtic Name: 2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide Openeye Name: 2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide CAS Name: 2-[[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzamide IUPAC Name: 2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide Traditional Name: 2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=C3C(=O)N)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=C3C(=O)N)C[NH+]4CCCC4)C

InChI

InChI=1S/C20H22N4O2S/c1-12-13(2)27-20-17(12)19(22-16(23-20)11-24-9-5-6-10-24)26-15-8-4-3-7-14(15)18(21)25/h3-4,7-8H,5-6,9-11H2,1-2H3,(H2,21,25)/p+1