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

Systemtic Name: [1-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-2-ethyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-chloro-purin-9-yl)methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[(2-amino-6-chloro-9-purinyl)methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(2-amino-6-chloropurin-9-yl)methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-chloro-purin-9-yl)methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid Formula: C12H17ClN5O4P MolecularWeight: 361.721241

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(CN2C=NC3=C2N=C(N=C3Cl)N)OCP(=O)(O)O

Isomeric SMILES

CCC1CC1(CN2C=NC3=C2N=C(N=C3Cl)N)OCP(=O)(O)O

InChI

InChI=1S/C12H17ClN5O4P/c1-2-7-3-12(7,22-6-23(19,20)21)4-18-5-15-8-9(13)16-11(14)17-10(8)18/h5,7H,2-4,6H2,1H3,(H2,14,16,17)(H2,19,20,21)