9-[[3,3-bis(fluoranyl)-2-(phenylmethoxymethyl)cyclopropen-1-yl]methyl]purin-6-amine

Systemtic Name: 9-[[3,3-bis(fluoranyl)-2-(phenylmethoxymethyl)cyclopropen-1-yl]methyl]purin-6-amine Openeye Name: 9-[[2-(benzyloxymethyl)-3,3-difluoro-cyclopropen-1-yl]methyl]purin-6-amine CAS Name: 9-[[3,3-difluoro-2-(phenylmethoxymethyl)-1-cyclopropenyl]methyl]-6-purinamine IUPAC Name: 9-[[3,3-difluoro-2-(phenylmethoxymethyl)cyclopropen-1-yl]methyl]purin-6-amine Traditional Name: [9-[[2-(benzoxymethyl)-3,3-difluoro-cyclopropen-1-yl]methyl]purin-6-yl]amine Formula: C17H15F2N5O MolecularWeight: 343.330706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C2(F)F)CN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C2(F)F)CN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H15F2N5O/c18-17(19)12(13(17)8-25-7-11-4-2-1-3-5-11)6-24-10-23-14-15(20)21-9-22-16(14)24/h1-5,9-10H,6-8H2,(H2,20,21,22)