[2-(6-aminopurin-9-yl)ethoxy-phenyl-methyl]phosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(OCCN2C=NC3=C2N=CN=C3N)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(OCCN2C=NC3=C2N=CN=C3N)P(=O)(O)O

InChI

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