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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC2=C1N=CN2CC(COCP(=O)(O)O)O

Isomeric SMILES

C=CCNC1=NC=NC2=C1N=CN2CC(COCP(=O)(O)O)O

InChI

InChI=1S/C12H18N5O5P/c1-2-3-13-11-10-12(15-6-14-11)17(7-16-10)4-9(18)5-22-8-23(19,20)21/h2,6-7,9,18H,1,3-5,8H2,(H,13,14,15)(H2,19,20,21)