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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-2-iodanyl-purin-9-yl]benzenecarbonitrile Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]benzonitrile CAS Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodo-9-purinyl]benzonitrile IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodopurin-9-yl]benzonitrile Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]benzonitrile Formula: C18H10FIN6 MolecularWeight: 456.215073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10FIN6/c19-12-5-2-4-11(8-12)16-23-14-15(22)24-18(20)25-17(14)26(16)13-6-1-3-10(7-13)9-21/h1-8H,(H2,22,24,25)