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

Systemtic Name: N-[9-cyclopropyl-2-(phenethylamino)-8-pyrazol-1-yl-purin-6-yl]propanamide Openeye Name: N-[9-cyclopropyl-2-(phenethylamino)-8-pyrazol-1-yl-purin-6-yl]propanamide CAS Name: N-[9-cyclopropyl-2-(phenethylamino)-8-(1-pyrazolyl)-6-purinyl]propanamide IUPAC Name: N-[9-cyclopropyl-2-(phenethylamino)-8-pyrazol-1-ylpurin-6-yl]propanamide Traditional Name: N-[9-cyclopropyl-2-(phenethylamino)-8-pyrazol-1-yl-purin-6-yl]propionamide Formula: C22H24N8O MolecularWeight: 416.47896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=NC2=C1N=C(N2C3CC3)N4C=CC=N4)NCCC5=CC=CC=C5

Isomeric SMILES

CCC(=O)NC1=NC(=NC2=C1N=C(N2C3CC3)N4C=CC=N4)NCCC5=CC=CC=C5

InChI

InChI=1S/C22H24N8O/c1-2-17(31)25-19-18-20(28-21(27-19)23-13-11-15-7-4-3-5-8-15)30(16-9-10-16)22(26-18)29-14-6-12-24-29/h3-8,12,14,16H,2,9-11,13H2,1H3,(H2,23,25,27,28,31)