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

Systemtic Name: N6-butan-2-yl-N2-phenethyl-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-phenethyl-9-propyl-8-pyrazol-1-yl-N6-sec-butyl-purine-2,6-diamine CAS Name: N6-butan-2-yl-N2-phenethyl-9-propyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 6-N-butan-2-yl-2-N-phenethyl-9-propyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: phenethyl-[9-propyl-8-pyrazol-1-yl-6-(sec-butylamino)purin-2-yl]amine Formula: C23H30N8 MolecularWeight: 418.5379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N8/c1-4-15-30-21-19(27-23(30)31-16-9-13-25-31)20(26-17(3)5-2)28-22(29-21)24-14-12-18-10-7-6-8-11-18/h6-11,13,16-17H,4-5,12,14-15H2,1-3H3,(H2,24,26,28,29)