N2-[2-(2,5-dimethoxyphenyl)ethyl]-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-[2-(2,5-dimethoxyphenyl)ethyl]-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-[2-(2,5-dimethoxyphenyl)ethyl]-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-[2-(2,5-dimethoxyphenyl)ethyl]-9-propyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-[2-(2,5-dimethoxyphenyl)ethyl]-9-propyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-[2-(2,5-dimethoxyphenyl)ethyl]amine Formula: C21H26N8O2 MolecularWeight: 422.48354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N8O2/c1-4-11-28-19-17(25-21(28)29-12-5-9-24-29)18(22)26-20(27-19)23-10-8-14-13-15(30-2)6-7-16(14)31-3/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H3,22,23,26,27)