2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H24N6OS/c1-2-22-20-16-7-3-4-8-17(16)24-21(25-20)29-15-19(28)27-13-11-26(12-14-27)18-9-5-6-10-23-18/h3-10H,2,11-15H2,1H3,(H,22,24,25)