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

Systemtic Name: [4-[3-(6-aminopurin-9-yl)propoxy]-3-ethanoyl-phenyl]methylphosphonic acid Openeye Name: [3-acetyl-4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid CAS Name: [3-acetyl-4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid IUPAC Name: [3-acetyl-4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Traditional Name: [3-acetyl-4-(3-adenin-9-ylpropoxy)benzyl]phosphonic acid Formula: C17H20N5O5P MolecularWeight: 405.344961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C17H20N5O5P/c1-11(23)13-7-12(8-28(24,25)26)3-4-14(13)27-6-2-5-22-10-21-15-16(18)19-9-20-17(15)22/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,18,19,20)(H2,24,25,26)