[4-(2-azanyl-6-chloranyl-purin-9-yl)-5-methyl-4-propan-2-yl-hex-1-en-3-yl]oxymethylphosphonic acid

Systemtic Name: [4-(2-azanyl-6-chloranyl-purin-9-yl)-5-methyl-4-propan-2-yl-hex-1-en-3-yl]oxymethylphosphonic acid Openeye Name: [2-(2-amino-6-chloro-purin-9-yl)-2-isopropyl-3-methyl-1-vinyl-butoxy]methylphosphonic acid CAS Name: [4-(2-amino-6-chloro-9-purinyl)-5-methyl-4-propan-2-ylhex-1-en-3-yl]oxymethylphosphonic acid IUPAC Name: [4-(2-amino-6-chloropurin-9-yl)-5-methyl-4-propan-2-ylhex-1-en-3-yl]oxymethylphosphonic acid Traditional Name: 1-[1-(2-amino-6-chloro-purin-9-yl)-1-isopropyl-2-methyl-propyl]allyloxymethylphosphonic acid Formula: C16H25ClN5O4P MolecularWeight: 417.827561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(C(C=C)OCP(=O)(O)O)N1C=NC2=C1N=C(N=C2Cl)N

Isomeric SMILES

CC(C)C(C(C)C)(C(C=C)OCP(=O)(O)O)N1C=NC2=C1N=C(N=C2Cl)N

InChI

InChI=1S/C16H25ClN5O4P/c1-6-11(26-8-27(23,24)25)16(9(2)3,10(4)5)22-7-19-12-13(17)20-15(18)21-14(12)22/h6-7,9-11H,1,8H2,2-5H3,(H2,18,20,21)(H2,23,24,25)