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

Systemtic Name: 2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c25-18(21-8-11-23-9-4-5-10-23)13-24-14-22-19-16(20(24)26)12-17(27-19)15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,21,25)/p+1