3-[6-azanyl-8-(3-fluorophenyl)-2-iodanyl-purin-9-yl]-N'-cyano-benzenecarboximidamide

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-2-iodanyl-purin-9-yl]-N'-cyano-benzenecarboximidamide Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]-N'-cyano-benzamidine CAS Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodo-9-purinyl]-N'-cyanobenzenecarboximidamide IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodopurin-9-yl]-N'-cyanobenzenecarboximidamide Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]-N'-cyano-benzamidine Formula: C19H12FIN8 MolecularWeight: 498.255053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NC3=C(N2C4=CC=CC(=C4)C(=NC#N)N)N=C(N=C3N)I

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NC3=C(N2C4=CC=CC(=C4)C(=NC#N)N)N=C(N=C3N)I

InChI

InChI=1S/C19H12FIN8/c20-12-5-1-4-11(7-12)17-26-14-16(24)27-19(21)28-18(14)29(17)13-6-2-3-10(8-13)15(23)25-9-22/h1-8H,(H2,23,25)(H2,24,27,28)