[2-[2,6-bis(azanyl)purin-9-yl]ethoxy-phenyl-methyl]phosphonic acid

Systemtic Name: [2-[2,6-bis(azanyl)purin-9-yl]ethoxy-phenyl-methyl]phosphonic acid Openeye Name: [2-(2,6-diaminopurin-9-yl)ethoxy-phenyl-methyl]phosphonic acid CAS Name: [2-(2,6-diamino-9-purinyl)ethoxy-phenylmethyl]phosphonic acid IUPAC Name: [2-(2,6-diaminopurin-9-yl)ethoxy-phenylmethyl]phosphonic acid Traditional Name: [2-(2,6-diaminopurin-9-yl)ethoxy-phenyl-methyl]phosphonic acid Formula: C14H17N6O4P MolecularWeight: 364.296341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N6O4P/c15-11-10-12(19-14(16)18-11)20(8-17-10)6-7-24-13(25(21,22)23)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,21,22,23)(H4,15,16,18,19)