[4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid

Systemtic Name: [4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid Openeye Name: [4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid CAS Name: [4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid IUPAC Name: [4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid Traditional Name: [4-(2-adenin-9-ylethoxy)benzyl]phosphonic acid Formula: C14H16N5O4P MolecularWeight: 349.281701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)O)OCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)OCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C14H16N5O4P/c15-13-12-14(17-8-16-13)19(9-18-12)5-6-23-11-3-1-10(2-4-11)7-24(20,21)22/h1-4,8-9H,5-7H2,(H2,15,16,17)(H2,20,21,22)