[4-oxidanyl-2-[6-(propan-2-ylamino)purin-9-yl]butoxy]methylphosphonic acid

Systemtic Name: [4-oxidanyl-2-[6-(propan-2-ylamino)purin-9-yl]butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-[6-(isopropylamino)purin-9-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(propan-2-ylamino)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-[6-(propan-2-ylamino)purin-9-yl]butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-[6-(isopropylamino)purin-9-yl]butoxy]methylphosphonic acid Formula: C13H22N5O5P MolecularWeight: 359.318041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC2=C1N=CN2C(CCO)COCP(=O)(O)O

Isomeric SMILES

CC(C)NC1=NC=NC2=C1N=CN2C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C13H22N5O5P/c1-9(2)17-12-11-13(15-6-14-12)18(7-16-11)10(3-4-19)5-23-8-24(20,21)22/h6-7,9-10,19H,3-5,8H2,1-2H3,(H,14,15,17)(H2,20,21,22)