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

Systemtic Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C12H16N3OS2+ MolecularWeight: 282.40494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C12H15N3OS2/c16-11-10-9(3-8-18-10)13-12(17)15(11)7-6-14-4-1-2-5-14/h3,8H,1-2,4-7H2,(H,13,17)/p+1