[4-[4-(6-aminopurin-9-yl)butoxy]-3-fluoranyl-phenyl]methylphosphonic acid

Systemtic Name: [4-[4-(6-aminopurin-9-yl)butoxy]-3-fluoranyl-phenyl]methylphosphonic acid Openeye Name: [4-[4-(6-aminopurin-9-yl)butoxy]-3-fluoro-phenyl]methylphosphonic acid CAS Name: [4-[4-(6-aminopurin-9-yl)butoxy]-3-fluorophenyl]methylphosphonic acid IUPAC Name: [4-[4-(6-aminopurin-9-yl)butoxy]-3-fluorophenyl]methylphosphonic acid Traditional Name: [4-(4-adenin-9-ylbutoxy)-3-fluoro-benzyl]phosphonic acid Formula: C16H19FN5O4P MolecularWeight: 395.325324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CP(=O)(O)O)F)OCCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC(=C(C=C1CP(=O)(O)O)F)OCCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H19FN5O4P/c17-12-7-11(8-27(23,24)25)3-4-13(12)26-6-2-1-5-22-10-21-14-15(18)19-9-20-16(14)22/h3-4,7,9-10H,1-2,5-6,8H2,(H2,18,19,20)(H2,23,24,25)