9-(3-oxidanylpropyl)-2-(trifluoromethyl)purine-6-carboxamide

Systemtic Name: 9-(3-oxidanylpropyl)-2-(trifluoromethyl)purine-6-carboxamide Openeye Name: 9-(3-hydroxypropyl)-2-(trifluoromethyl)purine-6-carboxamide CAS Name: 9-(3-hydroxypropyl)-2-(trifluoromethyl)-6-purinecarboxamide IUPAC Name: 9-(3-hydroxypropyl)-2-(trifluoromethyl)purine-6-carboxamide Traditional Name: 9-(3-hydroxypropyl)-2-(trifluoromethyl)purine-6-carboxamide Formula: C10H10F3N5O2 MolecularWeight: 289.21391

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N=C(N=C2N1CCCO)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=NC2=C(N=C(N=C2N1CCCO)C(F)(F)F)C(=O)N

InChI

InChI=1S/C10H10F3N5O2/c11-10(12,13)9-16-5(7(14)20)6-8(17-9)18(4-15-6)2-1-3-19/h4,19H,1-3H2,(H2,14,20)