[4-[5-(6-aminopurin-9-yl)pentoxy]-3-fluoranyl-phenyl]methylphosphonic acid

Systemtic Name: [4-[5-(6-aminopurin-9-yl)pentoxy]-3-fluoranyl-phenyl]methylphosphonic acid Openeye Name: [4-[5-(6-aminopurin-9-yl)pentoxy]-3-fluoro-phenyl]methylphosphonic acid CAS Name: [4-[5-(6-aminopurin-9-yl)pentoxy]-3-fluorophenyl]methylphosphonic acid IUPAC Name: [4-[5-(6-aminopurin-9-yl)pentoxy]-3-fluorophenyl]methylphosphonic acid Traditional Name: [4-(5-adenin-9-ylpentoxy)-3-fluoro-benzyl]phosphonic acid Formula: C17H21FN5O4P MolecularWeight: 409.351904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CP(=O)(O)O)F)OCCCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC(=C(C=C1CP(=O)(O)O)F)OCCCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C17H21FN5O4P/c18-13-8-12(9-28(24,25)26)4-5-14(13)27-7-3-1-2-6-23-11-22-15-16(19)20-10-21-17(15)23/h4-5,8,10-11H,1-3,6-7,9H2,(H2,19,20,21)(H2,24,25,26)