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

Systemtic Name: 9-[3,5-bis(fluoranyl)phenyl]-6-(cyclopentylamino)purine-2-carbonitrile Openeye Name: 6-(cyclopentylamino)-9-(3,5-difluorophenyl)purine-2-carbonitrile CAS Name: 6-(cyclopentylamino)-9-(3,5-difluorophenyl)-2-purinecarbonitrile IUPAC Name: 6-(cyclopentylamino)-9-(3,5-difluorophenyl)purine-2-carbonitrile Traditional Name: 6-(cyclopentylamino)-9-(3,5-difluorophenyl)purine-2-carbonitrile Formula: C17H14F2N6 MolecularWeight: 340.330066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4=CC(=CC(=C4)F)F)C#N

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4=CC(=CC(=C4)F)F)C#N

InChI

InChI=1S/C17H14F2N6/c18-10-5-11(19)7-13(6-10)25-9-21-15-16(22-12-3-1-2-4-12)23-14(8-20)24-17(15)25/h5-7,9,12H,1-4H2,(H,22,23,24)