N2-phenethyl-N6-propan-2-yl-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-phenethyl-N6-propan-2-yl-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N6-isopropyl-N2-phenethyl-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-phenethyl-N6-propan-2-yl-9-propyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-phenethyl-6-N-propan-2-yl-9-propyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: isopropyl-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]amine Formula: C22H28N8 MolecularWeight: 404.51132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(C)C)N=C1N4C=CC=N4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(C)C)N=C1N4C=CC=N4

InChI

InChI=1S/C22H28N8/c1-4-14-29-20-18(26-22(29)30-15-8-12-24-30)19(25-16(2)3)27-21(28-20)23-13-11-17-9-6-5-7-10-17/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H2,23,25,27,28)