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

Systemtic Name: 6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(2-hydroxyethyl)purine-2-carbonitrile Openeye Name: 6-(3,5-difluoroanilino)-9-(2-hydroxyethyl)purine-2-carbonitrile CAS Name: 6-(3,5-difluoroanilino)-9-(2-hydroxyethyl)-2-purinecarbonitrile IUPAC Name: 6-(3,5-difluoroanilino)-9-(2-hydroxyethyl)purine-2-carbonitrile Traditional Name: 6-(3,5-difluoroanilino)-9-(2-hydroxyethyl)purine-2-carbonitrile Formula: C14H10F2N6O MolecularWeight: 316.265606

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)NC2=NC(=NC3=C2N=CN3CCO)C#N

Isomeric SMILES

C1=C(C=C(C=C1F)F)NC2=NC(=NC3=C2N=CN3CCO)C#N

InChI

InChI=1S/C14H10F2N6O/c15-8-3-9(16)5-10(4-8)19-13-12-14(21-11(6-17)20-13)22(1-2-23)7-18-12/h3-5,7,23H,1-2H2,(H,19,20,21)