3-[2-azanyl-6-chloranyl-8-(3-fluorophenyl)purin-9-yl]benzenecarbonitrile

Systemtic Name: 3-[2-azanyl-6-chloranyl-8-(3-fluorophenyl)purin-9-yl]benzenecarbonitrile Openeye Name: 3-[2-amino-6-chloro-8-(3-fluorophenyl)purin-9-yl]benzonitrile CAS Name: 3-[2-amino-6-chloro-8-(3-fluorophenyl)-9-purinyl]benzonitrile IUPAC Name: 3-[2-amino-6-chloro-8-(3-fluorophenyl)purin-9-yl]benzonitrile Traditional Name: 3-[2-amino-6-chloro-8-(3-fluorophenyl)purin-9-yl]benzonitrile Formula: C18H10ClFN6 MolecularWeight: 364.763603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C3=C(C(=NC(=N3)N)Cl)N=C2C4=CC(=CC=C4)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C3=C(C(=NC(=N3)N)Cl)N=C2C4=CC(=CC=C4)F)C#N

InChI

InChI=1S/C18H10ClFN6/c19-15-14-17(25-18(22)24-15)26(13-6-1-3-10(7-13)9-21)16(23-14)11-4-2-5-12(20)8-11/h1-8H,(H2,22,24,25)