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

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3-(trifluoromethyl)benzamide Formula: C19H17F3N8O MolecularWeight: 430.38649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N8O/c1-2-8-29-15-13(25-18(29)30-9-4-7-24-30)14(23)26-17(27-15)28-16(31)11-5-3-6-12(10-11)19(20,21)22/h3-7,9-10H,2,8H2,1H3,(H3,23,26,27,28,31)