4-(2H-benzotriazol-4-yloxy)-1-[4-(8-ethyl-7H-purin-6-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(8-ethyl-7H-purin-6-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(8-ethyl-7H-purin-6-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(8-ethyl-7H-purin-6-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(8-ethyl-7H-purin-6-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(8-ethyl-7H-purin-6-yl)piperazino]butan-1-one Formula: C21H25N9O2 MolecularWeight: 435.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCOC4=CC=CC5=NNN=C54

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCOC4=CC=CC5=NNN=C54

InChI

InChI=1S/C21H25N9O2/c1-2-16-24-19-20(25-16)22-13-23-21(19)30-10-8-29(9-11-30)17(31)7-4-12-32-15-6-3-5-14-18(15)27-28-26-14/h3,5-6,13H,2,4,7-12H2,1H3,(H,26,27,28)(H,22,23,24,25)