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

Systemtic Name: 6-chloranyl-9-[[1-(2,4-dimethyl-3-phosphonato-pentan-3-yl)oxycyclopropyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)cyclopropyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)cyclopropyl]methyl]purin-2-yl]amine Formula: C16H23ClN5O4P-2 MolecularWeight: 415.811681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(OC1(CC1)CN2C=NC3=C2N=C(N=C3Cl)N)P(=O)([O-])[O-]

Isomeric SMILES

CC(C)C(C(C)C)(OC1(CC1)CN2C=NC3=C2N=C(N=C3Cl)N)P(=O)([O-])[O-]

InChI

InChI=1S/C16H25ClN5O4P/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)/p-2