2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-amino-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3-amino-4-oxo-2-quinazolinyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-amino-4-keto-quinazolin-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3N

InChI

InChI=1S/C20H21N5O4S2/c21-25-19(27)16-8-1-2-9-17(16)23-20(25)30-13-18(26)22-14-6-5-7-15(12-14)31(28,29)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13,21H2,(H,22,26)