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

Systemtic Name: 5-phenyl-2-[(2R)-pyrrolidin-1-ium-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(2R)-pyrrolidin-1-ium-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(2R)-2-pyrrolidin-1-iumyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(2R)-pyrrolidin-1-ium-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(2R)-pyrrolidin-1-ium-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C16H15N3OS/c20-15-13-11(10-5-2-1-3-6-10)9-21-16(13)19-14(18-15)12-7-4-8-17-12/h1-3,5-6,9,12,17H,4,7-8H2,(H,18,19,20)/p+1/t12-/m1/s1