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

Systemtic Name: N2-phenethyl-9-propan-2-yl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: 9-isopropyl-N2-phenethyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-phenethyl-9-propan-2-yl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-phenethyl-9-propan-2-yl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-isopropyl-8-pyrazol-1-yl-purin-2-yl)-phenethyl-amine Formula: C19H22N8 MolecularWeight: 362.43158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC(C)N1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C19H22N8/c1-13(2)27-17-15(23-19(27)26-12-6-10-22-26)16(20)24-18(25-17)21-11-9-14-7-4-3-5-8-14/h3-8,10,12-13H,9,11H2,1-2H3,(H3,20,21,24,25)