[4-methyl-2-phenyl-5-(2-piperidin-1-ium-1-ylethoxy)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methyl-2-phenyl-5-(2-piperidin-1-ium-1-ylethoxy)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methyl-2-phenyl-5-(2-piperidin-1-ium-1-ylethoxy)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-methyl-2-phenyl-5-[2-(1-piperidin-1-iumyl)ethoxy]-6-thieno[2,3-d]pyrimidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methyl-2-phenyl-5-(2-piperidin-1-ium-1-ylethoxy)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methyl-2-phenyl-5-(2-piperidin-1-ium-1-ylethoxy)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidino-methanone Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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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+]5CCCCC5

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C3=CC=CC=C3)C(=O)N4CCCC4)OCC[NH+]5CCCCC5

InChI

InChI=1S/C25H30N4O2S/c1-18-20-21(31-17-16-28-12-6-3-7-13-28)22(25(30)29-14-8-9-15-29)32-24(20)27-23(26-18)19-10-4-2-5-11-19/h2,4-5,10-11H,3,6-9,12-17H2,1H3/p+1