1-[3-[[2-(2,1,3-benzothiadiazol-4-ylamino)quinazolin-4-yl]amino]propyl]piperidin-3-ol

Systemtic Name: 1-[3-[[2-(2,1,3-benzothiadiazol-4-ylamino)quinazolin-4-yl]amino]propyl]piperidin-3-ol Openeye Name: 1-[3-[[2-(2,1,3-benzothiadiazol-4-ylamino)quinazolin-4-yl]amino]propyl]piperidin-3-ol CAS Name: 1-[3-[[2-(2,1,3-benzothiadiazol-4-ylamino)-4-quinazolinyl]amino]propyl]-3-piperidinol IUPAC Name: 1-[3-[[2-(2,1,3-benzothiadiazol-4-ylamino)quinazolin-4-yl]amino]propyl]piperidin-3-ol Traditional Name: 1-[3-[[2-(piazthiol-4-ylamino)quinazolin-4-yl]amino]propyl]piperidin-3-ol Formula: C22H25N7OS MolecularWeight: 435.5452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC5=NSN=C54)O

Isomeric SMILES

C1CC(CN(C1)CCCNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC5=NSN=C54)O

InChI

InChI=1S/C22H25N7OS/c30-15-6-4-12-29(14-15)13-5-11-23-21-16-7-1-2-8-17(16)24-22(26-21)25-18-9-3-10-19-20(18)28-31-27-19/h1-3,7-10,15,30H,4-6,11-14H2,(H2,23,24,25,26)