9-[(E)-hept-4-enyl]-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: 9-[(E)-hept-4-enyl]-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-[(E)-hept-4-enyl]-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-[(E)-hept-4-enyl]-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-[(E)-hept-4-enyl]-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: [6-amino-9-[(E)-hept-4-enyl]-8-pyrazol-1-yl-purin-2-yl]-benzyl-amine Formula: C22H26N8 MolecularWeight: 402.49544

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C22H26N8/c1-2-3-4-5-9-14-29-20-18(26-22(29)30-15-10-13-25-30)19(23)27-21(28-20)24-16-17-11-7-6-8-12-17/h3-4,6-8,10-13,15H,2,5,9,14,16H2,1H3,(H3,23,24,27,28)/b4-3+