3,5-dimethyl-4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazino]sulfonyl-isoxazole Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C22H22N6O3S/c1-15-20(16(2)31-26-15)32(29,30)28-12-10-27(11-13-28)22-18-7-3-4-8-19(18)24-21(25-22)17-6-5-9-23-14-17/h3-9,14H,10-13H2,1-2H3