N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-(phenethylamino)-9-propyl-8-(1-pyrazolyl)-6-purinyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-ylpurin-6-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-(phenethylamino)-9-propyl-8-pyrazol-1-yl-purin-6-yl]-4-(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=C(C=C4)C(F)(F)F)N=C1N5C=CC=N5

Isomeric SMILES

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

InChI

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