[(2R)-3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[(2-amino-6-chloro-purin-9-yl)methyl]-1-methyl-allyloxy]methylphosphonic acid CAS Name: [(2R)-3-[(2-amino-6-chloro-9-purinyl)methyl]but-3-en-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-3-[(2-amino-6-chloropurin-9-yl)methyl]but-3-en-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[(2-amino-6-chloro-purin-9-yl)methyl]-1-methyl-allyloxy]methylphosphonic acid Formula: C11H15ClN5O4P MolecularWeight: 347.694661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)CN1C=NC2=C1N=C(N=C2Cl)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C(=C)CN1C=NC2=C1N=C(N=C2Cl)N)OCP(=O)(O)O

InChI

InChI=1S/C11H15ClN5O4P/c1-6(7(2)21-5-22(18,19)20)3-17-4-14-8-9(12)15-11(13)16-10(8)17/h4,7H,1,3,5H2,2H3,(H2,13,15,16)(H2,18,19,20)/t7-/m1/s1