2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O2S/c1-2-22-19-15-7-3-4-8-16(15)24-21(25-19)29-13-18(27)14-11-17(23-12-14)20(28)26-9-5-6-10-26/h3-4,7-8,11-12,23H,2,5-6,9-10,13H2,1H3,(H,22,24,25)