[5-(2-azanyl-6-chloranyl-purin-9-yl)-3,3-dimethyl-pentyl]phosphonic acid

Systemtic Name: [5-(2-azanyl-6-chloranyl-purin-9-yl)-3,3-dimethyl-pentyl]phosphonic acid Openeye Name: [5-(2-amino-6-chloro-purin-9-yl)-3,3-dimethyl-pentyl]phosphonic acid CAS Name: [5-(2-amino-6-chloro-9-purinyl)-3,3-dimethylpentyl]phosphonic acid IUPAC Name: [5-(2-amino-6-chloropurin-9-yl)-3,3-dimethylpentyl]phosphonic acid Traditional Name: [5-(2-amino-6-chloro-purin-9-yl)-3,3-dimethyl-pentyl]phosphonic acid Formula: C12H19ClN5O3P MolecularWeight: 347.737721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=NC2=C1N=C(N=C2Cl)N)CCP(=O)(O)O

Isomeric SMILES

CC(C)(CCN1C=NC2=C1N=C(N=C2Cl)N)CCP(=O)(O)O

InChI

InChI=1S/C12H19ClN5O3P/c1-12(2,4-6-22(19,20)21)3-5-18-7-15-8-9(13)16-11(14)17-10(8)18/h7H,3-6H2,1-2H3,(H2,14,16,17)(H2,19,20,21)