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2-[4-[9-butyl-6-[(phenylmethyl)amino]purin-2-yl]piperazin-1-yl]ethanol

2-[4-[9-butyl-6-[(phenylmethyl)amino]purin-2-yl]piperazin-1-yl]ethanol

Systemtic Name:2-[4-[9-butyl-6-[(phenylmethyl)amino]purin-2-yl]piperazin-1-yl]ethanol
Openeye Name:2-[4-[6-(benzylamino)-9-butyl-purin-2-yl]piperazin-1-yl]ethanol
CAS Name:2-[4-[9-butyl-6-[(phenylmethyl)amino]-2-purinyl]-1-piperazinyl]ethanol
IUPAC Name:2-[4-[6-(benzylamino)-9-butylpurin-2-yl]piperazin-1-yl]ethanol
Traditional Name:2-[4-[6-(benzylamino)-9-butyl-purin-2-yl]piperazino]ethanol
Formula: C22H31N7O
MolecularWeight: 409.52784
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCN(CC4)CCO


Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCN(CC4)CCO


InChI

InChI=1S/C22H31N7O/c1-2-3-9-29-17-24-19-20(23-16-18-7-5-4-6-8-18)25-22(26-21(19)29)28-12-10-27(11-13-28)14-15-30/h4-8,17,30H,2-3,9-16H2,1H3,(H,23,25,26)


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