[4-oxidanyl-2-(6-phenylpurin-9-yl)butoxy]methylphosphonic acid

Systemtic Name: [4-oxidanyl-2-(6-phenylpurin-9-yl)butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-(6-phenylpurin-9-yl)butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-(6-phenyl-9-purinyl)butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-(6-phenylpurin-9-yl)butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-(6-phenylpurin-9-yl)butoxy]methylphosphonic acid Formula: C16H19N4O5P MolecularWeight: 378.319621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C16H19N4O5P/c21-7-6-13(8-25-11-26(22,23)24)20-10-19-15-14(17-9-18-16(15)20)12-4-2-1-3-5-12/h1-5,9-10,13,21H,6-8,11H2,(H2,22,23,24)