3-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide

Systemtic Name: 3-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide Openeye Name: 3-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide CAS Name: 3-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazinyl]thiolane 1,1-dioxide IUPAC Name: 3-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide Traditional Name: 3-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazino]sulfolane Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C21H23N5O2S/c27-29(28)14-7-17(15-29)25-10-12-26(13-11-25)21-18-3-1-2-4-19(18)23-20(24-21)16-5-8-22-9-6-16/h1-6,8-9,17H,7,10-15H2