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

Systemtic Name: 9-[[1-(2,4-dimethyl-3-phosphonato-pentan-3-yl)oxy-2,2-dimethyl-cyclopropyl]methyl]-6-iodanyl-purin-2-amine Openeye Name: 6-iodo-9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)-2,2-dimethyl-cyclopropyl]methyl]purin-2-amine CAS Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxy-2,2-dimethylcyclopropyl]methyl]-6-iodo-2-purinamine IUPAC Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxy-2,2-dimethylcyclopropyl]methyl]-6-iodopurin-2-amine Traditional Name: [6-iodo-9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)-2,2-dimethyl-cyclopropyl]methyl]purin-2-yl]amine Formula: C18H27IN5O4P-2 MolecularWeight: 535.316311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29IN5O4P/c1-10(2)18(11(3)4,29(25,26)27)28-17(7-16(17,5)6)8-24-9-21-12-13(19)22-15(20)23-14(12)24/h9-11H,7-8H2,1-6H3,(H2,20,22,23)(H2,25,26,27)/p-2