2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanyl-1,3-benzoxazole

Systemtic Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanyl-1,3-benzoxazole Openeye Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanyl-1,3-benzoxazole CAS Name: 2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]thio]-1,3-benzoxazole IUPAC Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanyl-1,3-benzoxazole Traditional Name: 2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]thio]-1,3-benzoxazole Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=NC5=CC=CC=C5O4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=NC5=CC=CC=C5O4)C6=NC=CC=N6

InChI

InChI=1S/C24H21N7OS/c1-2-7-18-17(6-1)22(33-24-28-19-8-3-4-9-20(19)32-24)29-21(27-18)16-30-12-14-31(15-13-30)23-25-10-5-11-26-23/h1-11H,12-16H2