[3-[6-(cyclopropylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid

Systemtic Name: [3-[6-(cyclopropylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-[6-(cyclopropylamino)purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-[6-(cyclopropylamino)-9-purinyl]-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-[6-(cyclopropylamino)purin-9-yl]-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-[6-(cyclopropylamino)purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid Formula: C12H18N5O5P MolecularWeight: 343.275581

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2N=CN3CC(COCP(=O)(O)O)O

Isomeric SMILES

C1CC1NC2=NC=NC3=C2N=CN3CC(COCP(=O)(O)O)O

InChI

InChI=1S/C12H18N5O5P/c18-9(4-22-7-23(19,20)21)3-17-6-15-10-11(16-8-1-2-8)13-5-14-12(10)17/h5-6,8-9,18H,1-4,7H2,(H,13,14,16)(H2,19,20,21)