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

Systemtic Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]cyclobutanecarboxamide Openeye Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]cyclobutanecarboxamide CAS Name: N-[2-(phenethylamino)-9-propyl-8-(1-pyrazolyl)-6-purinyl]cyclobutanecarboxamide IUPAC Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-ylpurin-6-yl]cyclobutanecarboxamide Traditional Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]cyclobutanecarboxamide Formula: C24H28N8O MolecularWeight: 444.53212

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(=O)C4CCC4)N=C1N5C=CC=N5

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(=O)C4CCC4)N=C1N5C=CC=N5

InChI

InChI=1S/C24H28N8O/c1-2-15-31-21-19(27-24(31)32-16-7-13-26-32)20(28-22(33)18-10-6-11-18)29-23(30-21)25-14-12-17-8-4-3-5-9-17/h3-5,7-9,13,16,18H,2,6,10-12,14-15H2,1H3,(H2,25,28,29,30,33)