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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)F)F)C#N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)F)F)C#N

InChI

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