[2-[6-[ethyl(methyl)amino]purin-7-yl]-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-[6-[ethyl(methyl)amino]purin-7-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [2-[6-[ethyl(methyl)amino]purin-7-yl]-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [2-[6-[ethyl(methyl)amino]-7-purinyl]-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [2-[6-[ethyl(methyl)amino]purin-7-yl]-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [2-[6-[ethyl(methyl)amino]purin-7-yl]-4-hydroxy-butoxy]methylphosphonic acid Formula: C13H22N5O5P MolecularWeight: 359.318041

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=NC=NC2=C1N(C=N2)C(CCO)COCP(=O)(O)O

Isomeric SMILES

CCN(C)C1=NC=NC2=C1N(C=N2)C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C13H22N5O5P/c1-3-17(2)13-11-12(14-7-15-13)16-8-18(11)10(4-5-19)6-23-9-24(20,21)22/h7-8,10,19H,3-6,9H2,1-2H3,(H2,20,21,22)