[4-acetyloxy-2-(6-aminopurin-9-yl)butoxy]methylphosphonic acid

Systemtic Name: [4-acetyloxy-2-(6-aminopurin-9-yl)butoxy]methylphosphonic acid Openeye Name: [4-acetoxy-2-(6-aminopurin-9-yl)butoxy]methylphosphonic acid CAS Name: [4-acetyloxy-2-(6-aminopurin-9-yl)butoxy]methylphosphonic acid IUPAC Name: [4-acetyloxy-2-(6-aminopurin-9-yl)butoxy]methylphosphonic acid Traditional Name: (4-acetoxy-2-adenin-9-yl-butoxy)methylphosphonic acid Formula: C12H18N5O6P MolecularWeight: 359.274981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N5O6P/c1-8(18)23-3-2-9(4-22-7-24(19,20)21)17-6-16-10-11(13)14-5-15-12(10)17/h5-6,9H,2-4,7H2,1H3,(H2,13,14,15)(H2,19,20,21)