[4-oxidanyl-2-(6-thiophen-3-ylpurin-9-yl)butoxy]methylphosphonic acid

Systemtic Name: [4-oxidanyl-2-(6-thiophen-3-ylpurin-9-yl)butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-[6-(3-thienyl)purin-9-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(3-thiophenyl)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-(6-thiophen-3-ylpurin-9-yl)butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-[6-(3-thienyl)purin-9-yl]butoxy]methylphosphonic acid Formula: C14H17N4O5PS MolecularWeight: 384.347341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C2=C3C(=NC=N2)N(C=N3)C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=CSC=C1C2=C3C(=NC=N2)N(C=N3)C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C14H17N4O5PS/c19-3-1-11(5-23-9-24(20,21)22)18-8-17-13-12(10-2-4-25-6-10)15-7-16-14(13)18/h2,4,6-8,11,19H,1,3,5,9H2,(H2,20,21,22)