[1-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-chloro-purin-9-yl)methyl]-2-propyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[(2-amino-6-chloro-9-purinyl)methyl]-2-propylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(2-amino-6-chloropurin-9-yl)methyl]-2-propylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-chloro-purin-9-yl)methyl]-2-propyl-cyclopropoxy]methylphosphonic acid Formula: C13H19ClN5O4P MolecularWeight: 375.747821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC1(CN2C=NC3=C2N=C(N=C3Cl)N)OCP(=O)(O)O

Isomeric SMILES

CCCC1CC1(CN2C=NC3=C2N=C(N=C3Cl)N)OCP(=O)(O)O

InChI

InChI=1S/C13H19ClN5O4P/c1-2-3-8-4-13(8,23-7-24(20,21)22)5-19-6-16-9-10(14)17-12(15)18-11(9)19/h6,8H,2-5,7H2,1H3,(H2,15,17,18)(H2,20,21,22)