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

Systemtic Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]cyclopropanecarboxamide Openeye Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]cyclopropanecarboxamide CAS Name: N-[2-(phenethylamino)-9-propyl-8-(1-pyrazolyl)-6-purinyl]cyclopropanecarboxamide IUPAC Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-ylpurin-6-yl]cyclopropanecarboxamide Traditional Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]cyclopropanecarboxamide Formula: C23H26N8O MolecularWeight: 430.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(=O)C4CC4)N=C1N5C=CC=N5

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(=O)C4CC4)N=C1N5C=CC=N5

InChI

InChI=1S/C23H26N8O/c1-2-14-30-20-18(26-23(30)31-15-6-12-25-31)19(27-21(32)17-9-10-17)28-22(29-20)24-13-11-16-7-4-3-5-8-16/h3-8,12,15,17H,2,9-11,13-14H2,1H3,(H2,24,27,28,29,32)