N2-(3-phenylpropyl)-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-(3-phenylpropyl)-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-(3-phenylpropyl)-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-(3-phenylpropyl)-9-propyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-(3-phenylpropyl)-9-propyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-(3-phenylpropyl)amine Formula: C20H24N8 MolecularWeight: 376.45816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C20H24N8/c1-2-13-27-18-16(24-20(27)28-14-7-12-23-28)17(21)25-19(26-18)22-11-6-10-15-8-4-3-5-9-15/h3-5,7-9,12,14H,2,6,10-11,13H2,1H3,(H3,21,22,25,26)