6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-(3,5-difluoroanilino)-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-(3,5-difluoroanilino)-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-(3,5-difluoroanilino)-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-(3,5-difluoroanilino)-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C15H12F2N6O MolecularWeight: 330.292186

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)NC2=NC(=NC3=C2N=CN3CCCO)C#N

Isomeric SMILES

C1=C(C=C(C=C1F)F)NC2=NC(=NC3=C2N=CN3CCCO)C#N

InChI

InChI=1S/C15H12F2N6O/c16-9-4-10(17)6-11(5-9)20-14-13-15(22-12(7-18)21-14)23(8-19-13)2-1-3-24/h4-6,8,24H,1-3H2,(H,20,21,22)