5-(furan-2-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-(1-pyrrolidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H16N3O2S+ MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C15H15N3O2S/c19-14-13-10(11-4-3-7-20-11)9-21-15(13)17-12(16-14)8-18-5-1-2-6-18/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,19)/p+1