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

Systemtic Name: 2-methyl-N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propanamide Openeye Name: 2-methyl-N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propanamide CAS Name: 2-methyl-N-[2-(phenethylamino)-9-propyl-8-(1-pyrazolyl)-6-purinyl]propanamide IUPAC Name: 2-methyl-N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-ylpurin-6-yl]propanamide Traditional Name: 2-methyl-N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]propionamide Formula: C23H28N8O MolecularWeight: 432.52142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N8O/c1-4-14-30-20-18(26-23(30)31-15-8-12-25-31)19(27-21(32)16(2)3)28-22(29-20)24-13-11-17-9-6-5-7-10-17/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H2,24,27,28,29,32)