[3-[1-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethyl-pentan-3-yl]phosphonic acid

Systemtic Name: [3-[1-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethyl-pentan-3-yl]phosphonic acid Openeye Name: [1-[1-[(2-amino-6-iodo-purin-9-yl)methyl]cyclopropoxy]-1-isopropyl-2-methyl-propyl]phosphonic acid CAS Name: [3-[1-[(2-amino-6-iodo-9-purinyl)methyl]cyclopropyl]oxy-2,4-dimethylpentan-3-yl]phosphonic acid IUPAC Name: [3-[1-[(2-amino-6-iodopurin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethylpentan-3-yl]phosphonic acid Traditional Name: [1-[1-[(2-amino-6-iodo-purin-9-yl)methyl]cyclopropoxy]-1-isopropyl-2-methyl-propyl]phosphonic acid Formula: C16H25IN5O4P MolecularWeight: 509.279031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(OC1(CC1)CN2C=NC3=C2N=C(N=C3I)N)P(=O)(O)O

Isomeric SMILES

CC(C)C(C(C)C)(OC1(CC1)CN2C=NC3=C2N=C(N=C3I)N)P(=O)(O)O

InChI

InChI=1S/C16H25IN5O4P/c1-9(2)16(10(3)4,27(23,24)25)26-15(5-6-15)7-22-8-19-11-12(17)20-14(18)21-13(11)22/h8-10H,5-7H2,1-4H3,(H2,18,20,21)(H2,23,24,25)