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

Systemtic Name: 6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(2-diethylaminoethyl)purine-2-carbonitrile Openeye Name: 9-(2-diethylaminoethyl)-6-(3,5-difluoroanilino)purine-2-carbonitrile CAS Name: 9-(2-diethylaminoethyl)-6-(3,5-difluoroanilino)-2-purinecarbonitrile IUPAC Name: 9-(2-diethylaminoethyl)-6-(3,5-difluoroanilino)purine-2-carbonitrile Traditional Name: 9-(2-diethylaminoethyl)-6-(3,5-difluoroanilino)purine-2-carbonitrile Formula: C18H19F2N7 MolecularWeight: 371.387166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC(=C3)F)F)C#N

Isomeric SMILES

CCN(CC)CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC(=C3)F)F)C#N

InChI

InChI=1S/C18H19F2N7/c1-3-26(4-2)5-6-27-11-22-16-17(24-15(10-21)25-18(16)27)23-14-8-12(19)7-13(20)9-14/h7-9,11H,3-6H2,1-2H3,(H,23,24,25)