1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[2-(2-thienyl)quinazolin-4-yl]thio]ethanone Formula: C22H20N6OS2 MolecularWeight: 448.5638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H20N6OS2/c29-19(27-10-12-28(13-11-27)22-23-8-4-9-24-22)15-31-21-16-5-1-2-6-17(16)25-20(26-21)18-7-3-14-30-18/h1-9,14H,10-13,15H2