2-[(2-chlorophenyl)methylsulfanyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[3,2-d]pyrimidin-4-one Formula: C19H21ClN3OS2+ MolecularWeight: 406.97254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4Cl

InChI

InChI=1S/C19H20ClN3OS2/c20-15-6-2-1-5-14(15)13-26-19-21-16-7-12-25-17(16)18(24)23(19)11-10-22-8-3-4-9-22/h1-2,5-7,12H,3-4,8-11,13H2/p+1