[4-[6-(6-aminopurin-9-yl)hexoxy]-3-ethanoyl-phenyl]methylphosphonic acid

Systemtic Name: [4-[6-(6-aminopurin-9-yl)hexoxy]-3-ethanoyl-phenyl]methylphosphonic acid Openeye Name: [3-acetyl-4-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid CAS Name: [3-acetyl-4-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid IUPAC Name: [3-acetyl-4-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid Traditional Name: [3-acetyl-4-(6-adenin-9-ylhexoxy)benzyl]phosphonic acid Formula: C20H26N5O5P MolecularWeight: 447.424701

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C20H26N5O5P/c1-14(26)16-10-15(11-31(27,28)29)6-7-17(16)30-9-5-3-2-4-8-25-13-24-18-19(21)22-12-23-20(18)25/h6-7,10,12-13H,2-5,8-9,11H2,1H3,(H2,21,22,23)(H2,27,28,29)