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

Systemtic Name: 5-chloranyl-2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-benzamide Openeye Name: 5-chloro-2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-benzamide CAS Name: 5-chloro-2-[[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzamide IUPAC Name: 5-chloro-2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide Traditional Name: 5-chloro-2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-benzamide Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=C(C=C(C=C3)Cl)C(=O)N)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=C(C=C(C=C3)Cl)C(=O)N)C[NH+]4CCCC4)C

InChI

InChI=1S/C20H21ClN4O2S/c1-11-12(2)28-20-17(11)19(23-16(24-20)10-25-7-3-4-8-25)27-15-6-5-13(21)9-14(15)18(22)26/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,22,26)/p+1