2-[2-(4-chlorophenyl)-4-methyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-5-yl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chlorophenyl)-4-methyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-5-yl]oxyethyl-dimethyl-azanium Openeye Name: 2-[2-(4-chlorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-5-yl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-chlorophenyl)-4-methyl-6-[oxo(1-pyrrolidinyl)methyl]-5-thieno[2,3-d]pyrimidinyl]oxy]ethyl-dimethylammonium IUPAC Name: 2-[2-(4-chlorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-5-yl]oxyethyl-dimethylazanium Traditional Name: 2-[2-(4-chlorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-5-yl]oxyethyl-dimethyl-ammonium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=N1)C3=CC=C(C=C3)Cl)C(=O)N4CCCC4)OCC[NH+](C)C

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C3=CC=C(C=C3)Cl)C(=O)N4CCCC4)OCC[NH+](C)C

InChI

InChI=1S/C22H25ClN4O2S/c1-14-17-18(29-13-12-26(2)3)19(22(28)27-10-4-5-11-27)30-21(17)25-20(24-14)15-6-8-16(23)9-7-15/h6-9H,4-5,10-13H2,1-3H3/p+1