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

Systemtic Name: 9-[[1-(2,4-dimethyl-3-phosphonato-pentan-3-yl)oxy-2,2-dimethyl-cyclopropyl]methyl]purin-6-amine Openeye Name: 9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)-2,2-dimethyl-cyclopropyl]methyl]purin-6-amine CAS Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxy-2,2-dimethylcyclopropyl]methyl]-6-purinamine IUPAC Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxy-2,2-dimethylcyclopropyl]methyl]purin-6-amine Traditional Name: [9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)-2,2-dimethyl-cyclopropyl]methyl]purin-6-yl]amine Formula: C18H28N5O4P-2 MolecularWeight: 409.419781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(OC1(CC1(C)C)CN2C=NC3=C2N=CN=C3N)P(=O)([O-])[O-]

Isomeric SMILES

CC(C)C(C(C)C)(OC1(CC1(C)C)CN2C=NC3=C2N=CN=C3N)P(=O)([O-])[O-]

InChI

InChI=1S/C18H30N5O4P/c1-11(2)18(12(3)4,28(24,25)26)27-17(7-16(17,5)6)8-23-10-22-13-14(19)20-9-21-15(13)23/h9-12H,7-8H2,1-6H3,(H2,19,20,21)(H2,24,25,26)/p-2