3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-19(8-12-25-15-23-20-17(21(25)27)9-13-28-20)22-14-18(24-10-4-5-11-24)16-6-2-1-3-7-16/h1-3,6-7,9,13,15,18H,4-5,8,10-12,14H2,(H,22,26)/p+1/t18-/m0/s1