4-(4-oxidanylidenequinazolin-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide Openeye Name: 4-(4-oxoquinazolin-3-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c27-21(23-15-19(20-9-6-14-29-20)25-11-3-4-12-25)10-5-13-26-16-24-18-8-2-1-7-17(18)22(26)28/h1-2,6-9,14,16,19H,3-5,10-13,15H2,(H,23,27)