1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C19H18N4O2S/c24-17(11-26-18-14-5-1-2-6-15(14)21-12-22-18)13-9-16(20-10-13)19(25)23-7-3-4-8-23/h1-2,5-6,9-10,12,20H,3-4,7-8,11H2