[3-[1-(2-azanyl-6-chloranyl-purin-9-yl)but-3-en-2-yloxy]-2,4-dimethyl-pentan-3-yl]phosphonic acid

Systemtic Name: [3-[1-(2-azanyl-6-chloranyl-purin-9-yl)but-3-en-2-yloxy]-2,4-dimethyl-pentan-3-yl]phosphonic acid Openeye Name: [1-[1-[(2-amino-6-chloro-purin-9-yl)methyl]allyloxy]-1-isopropyl-2-methyl-propyl]phosphonic acid CAS Name: [3-[1-(2-amino-6-chloro-9-purinyl)but-3-en-2-yloxy]-2,4-dimethylpentan-3-yl]phosphonic acid IUPAC Name: [3-[1-(2-amino-6-chloropurin-9-yl)but-3-en-2-yloxy]-2,4-dimethylpentan-3-yl]phosphonic acid Traditional Name: [1-[1-[(2-amino-6-chloro-purin-9-yl)methyl]allyloxy]-1-isopropyl-2-methyl-propyl]phosphonic acid Formula: C16H25ClN5O4P MolecularWeight: 417.827561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(OC(CN1C=NC2=C1N=C(N=C2Cl)N)C=C)P(=O)(O)O

Isomeric SMILES

CC(C)C(C(C)C)(OC(CN1C=NC2=C1N=C(N=C2Cl)N)C=C)P(=O)(O)O

InChI

InChI=1S/C16H25ClN5O4P/c1-6-11(26-16(9(2)3,10(4)5)27(23,24)25)7-22-8-19-12-13(17)20-15(18)21-14(12)22/h6,8-11H,1,7H2,2-5H3,(H2,18,20,21)(H2,23,24,25)