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

Systemtic Name: dimethyl-[2-(4-methyl-2-phenyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-5-yl)oxyethyl]azanium Openeye Name: dimethyl-[2-[4-methyl-2-phenyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-5-yl]oxyethyl]ammonium CAS Name: dimethyl-[2-[[4-methyl-6-[oxo(1-pyrrolidinyl)methyl]-2-phenyl-5-thieno[2,3-d]pyrimidinyl]oxy]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-methyl-2-phenyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-5-yl]oxyethyl]azanium Traditional Name: dimethyl-[2-[4-methyl-2-phenyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-5-yl]oxyethyl]ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-15-17-18(28-14-13-25(2)3)19(22(27)26-11-7-8-12-26)29-21(17)24-20(23-15)16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-14H2,1-3H3/p+1