3-[2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-[2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(2,4-dioxo-1-quinazolinyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(2,4-diketoquinazolin-1-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C3=CC=CC=C3C(=O)NC2=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCN2C3=CC=CC=C3C(=O)NC2=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S/c26-19(22-14-17(18-8-5-13-29-18)24-10-3-4-11-24)9-12-25-16-7-2-1-6-15(16)20(27)23-21(25)28/h1-2,5-8,13,17H,3-4,9-12,14H2,(H,22,26)(H,23,27,28)/p+1/t17-/m0/s1