3-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-phenyl-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylthio)thieno[3,2-d]pyrimidin-4-one Formula: C18H20N3OS2+ MolecularWeight: 358.5009

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SC=C3

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SC=C3

InChI

InChI=1S/C18H19N3OS2/c22-17-16-15(8-12-23-16)19-18(21(17)14-6-2-1-3-7-14)24-13-11-20-9-4-5-10-20/h1-3,6-8,12H,4-5,9-11,13H2/p+1