[4-oxidanyl-2-(6-pyrrol-1-ylpurin-7-yl)butoxy]methylphosphonic acid

Systemtic Name: [4-oxidanyl-2-(6-pyrrol-1-ylpurin-7-yl)butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-(6-pyrrol-1-ylpurin-7-yl)butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(1-pyrrolyl)-7-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-(6-pyrrol-1-ylpurin-7-yl)butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-(6-pyrrol-1-ylpurin-7-yl)butoxy]methylphosphonic acid Formula: C14H18N5O5P MolecularWeight: 367.296981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC=NC3=C2N(C=N3)C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=CN(C=C1)C2=NC=NC3=C2N(C=N3)C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C14H18N5O5P/c20-6-3-11(7-24-10-25(21,22)23)19-9-17-13-12(19)14(16-8-15-13)18-4-1-2-5-18/h1-2,4-5,8-9,11,20H,3,6-7,10H2,(H2,21,22,23)