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

Systemtic Name: 9-[[1-(2,4-dimethyl-3-phosphonato-pentan-3-yl)oxy-2-methyl-cyclopropyl]methyl]purin-6-amine Openeye Name: 9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)-2-methyl-cyclopropyl]methyl]purin-6-amine CAS Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxy-2-methylcyclopropyl]methyl]-6-purinamine IUPAC Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxy-2-methylcyclopropyl]methyl]purin-6-amine Traditional Name: [9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)-2-methyl-cyclopropyl]methyl]purin-6-yl]amine Formula: C17H26N5O4P-2 MolecularWeight: 395.393201

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(CN2C=NC3=C2N=CN=C3N)OC(C(C)C)(C(C)C)P(=O)([O-])[O-]

Isomeric SMILES

CC1CC1(CN2C=NC3=C2N=CN=C3N)OC(C(C)C)(C(C)C)P(=O)([O-])[O-]

InChI

InChI=1S/C17H28N5O4P/c1-10(2)17(11(3)4,27(23,24)25)26-16(6-12(16)5)7-22-9-21-13-14(18)19-8-20-15(13)22/h8-12H,6-7H2,1-5H3,(H2,18,19,20)(H2,23,24,25)/p-2