N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propanamide

Systemtic Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propanamide Openeye Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propanamide CAS Name: N-[2-(phenethylamino)-9-propyl-8-(1-pyrazolyl)-6-purinyl]propanamide IUPAC Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-ylpurin-6-yl]propanamide Traditional Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propionamide Formula: C22H26N8O MolecularWeight: 418.49484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N8O/c1-3-14-29-20-18(26-22(29)30-15-8-12-24-30)19(25-17(31)4-2)27-21(28-20)23-13-11-16-9-6-5-7-10-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H2,23,25,27,28,31)