[3-(6-aminopurin-9-yl)-2-methylidene-butoxy]methylphosphonic acid

Systemtic Name: [3-(6-aminopurin-9-yl)-2-methylidene-butoxy]methylphosphonic acid Openeye Name: [3-(6-aminopurin-9-yl)-2-methylene-butoxy]methylphosphonic acid CAS Name: [3-(6-aminopurin-9-yl)-2-methylenebutoxy]methylphosphonic acid IUPAC Name: [3-(6-aminopurin-9-yl)-2-methylidenebutoxy]methylphosphonic acid Traditional Name: 2-(1-adenin-9-ylethyl)allyloxymethylphosphonic acid Formula: C11H16N5O4P MolecularWeight: 313.249601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)COCP(=O)(O)O)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(C(=C)COCP(=O)(O)O)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C11H16N5O4P/c1-7(3-20-6-21(17,18)19)8(2)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,8H,1,3,6H2,2H3,(H2,12,13,14)(H2,17,18,19)