6-[2,2-bis(fluoranyl)ethylamino]-9-(3-chlorophenyl)purine-2-carbonitrile

Systemtic Name: 6-[2,2-bis(fluoranyl)ethylamino]-9-(3-chlorophenyl)purine-2-carbonitrile Openeye Name: 9-(3-chlorophenyl)-6-(2,2-difluoroethylamino)purine-2-carbonitrile CAS Name: 9-(3-chlorophenyl)-6-(2,2-difluoroethylamino)-2-purinecarbonitrile IUPAC Name: 9-(3-chlorophenyl)-6-(2,2-difluoroethylamino)purine-2-carbonitrile Traditional Name: 9-(3-chlorophenyl)-6-(2,2-difluoroethylamino)purine-2-carbonitrile Formula: C14H9ClF2N6 MolecularWeight: 334.711266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C=NC3=C2N=C(N=C3NCC(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C=NC3=C2N=C(N=C3NCC(F)F)C#N

InChI

InChI=1S/C14H9ClF2N6/c15-8-2-1-3-9(4-8)23-7-20-12-13(19-6-10(16)17)21-11(5-18)22-14(12)23/h1-4,7,10H,6H2,(H,19,21,22)