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

Systemtic Name: 9-[[1-(2,4-dimethyl-3-phosphonato-pentan-3-yl)oxycyclopropyl]methyl]purin-6-amine Openeye Name: 9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)cyclopropyl]methyl]purin-6-amine CAS Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-6-purinamine IUPAC Name: 9-[[1-(2,4-dimethyl-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]purin-6-amine Traditional Name: [9-[[1-(1-isopropyl-2-methyl-1-phosphonato-propoxy)cyclopropyl]methyl]purin-6-yl]amine Formula: C16H24N5O4P-2 MolecularWeight: 381.366621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N5O4P/c1-10(2)16(11(3)4,26(22,23)24)25-15(5-6-15)7-21-9-20-12-13(17)18-8-19-14(12)21/h8-11H,5-7H2,1-4H3,(H2,17,18,19)(H2,22,23,24)/p-2