2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

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