N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-(phenethylamino)-9-propyl-8-(1-pyrazolyl)-6-purinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-ylpurin-6-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-3-(trifluoromethyl)benzamide Formula: C27H25F3N8O MolecularWeight: 534.53561

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)N=C1N5C=CC=N5

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)N=C1N5C=CC=N5

InChI

InChI=1S/C27H25F3N8O/c1-2-15-37-23-21(33-26(37)38-16-7-13-32-38)22(34-24(39)19-10-6-11-20(17-19)27(28,29)30)35-25(36-23)31-14-12-18-8-4-3-5-9-18/h3-11,13,16-17H,2,12,14-15H2,1H3,(H2,31,34,35,36,39)