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

Systemtic Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(7H-purin-6-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(2H-benzotriazol-4-yloxy)-1-[4-(7H-purin-6-yl)piperazino]butan-1-one Formula: C19H21N9O2 MolecularWeight: 407.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)CCCOC4=CC=CC5=NNN=C54

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)CCCOC4=CC=CC5=NNN=C54

InChI

InChI=1S/C19H21N9O2/c29-15(5-2-10-30-14-4-1-3-13-16(14)25-26-24-13)27-6-8-28(9-7-27)19-17-18(21-11-20-17)22-12-23-19/h1,3-4,11-12H,2,5-10H2,(H,24,25,26)(H,20,21,22,23)