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9-decyl-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

9-decyl-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name:9-decyl-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine
Openeye Name:N2-benzyl-9-decyl-8-pyrazol-1-yl-purine-2,6-diamine
CAS Name:9-decyl-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine
IUPAC Name:2-N-benzyl-9-decyl-8-pyrazol-1-ylpurine-2,6-diamine
Traditional Name:(6-amino-9-decyl-8-pyrazol-1-yl-purin-2-yl)-benzyl-amine
Formula: C25H34N8
MolecularWeight: 446.59106
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4


Isomeric SMILES

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4


InChI

InChI=1S/C25H34N8/c1-2-3-4-5-6-7-8-12-17-32-23-21(29-25(32)33-18-13-16-28-33)22(26)30-24(31-23)27-19-20-14-10-9-11-15-20/h9-11,13-16,18H,2-8,12,17,19H2,1H3,(H3,26,27,30,31)


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