6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(2-pyrrolidin-1-ylethyl)purine-2-carbonitrile

Systemtic Name: 6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(2-pyrrolidin-1-ylethyl)purine-2-carbonitrile Openeye Name: 6-(3,5-difluoroanilino)-9-(2-pyrrolidin-1-ylethyl)purine-2-carbonitrile CAS Name: 6-(3,5-difluoroanilino)-9-[2-(1-pyrrolidinyl)ethyl]-2-purinecarbonitrile IUPAC Name: 6-(3,5-difluoroanilino)-9-(2-pyrrolidin-1-ylethyl)purine-2-carbonitrile Traditional Name: 6-(3,5-difluoroanilino)-9-(2-pyrrolidinoethyl)purine-2-carbonitrile Formula: C18H17F2N7 MolecularWeight: 369.371286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)F)F)C#N

Isomeric SMILES

C1CCN(C1)CCN2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)F)F)C#N

InChI

InChI=1S/C18H17F2N7/c19-12-7-13(20)9-14(8-12)23-17-16-18(25-15(10-21)24-17)27(11-22-16)6-5-26-3-1-2-4-26/h7-9,11H,1-6H2,(H,23,24,25)