[3-(6-azanylpurin-7-yl)-5-methoxy-5-oxidanylidene-pentoxy]methylphosphonic acid

Systemtic Name: [3-(6-azanylpurin-7-yl)-5-methoxy-5-oxidanylidene-pentoxy]methylphosphonic acid Openeye Name: [3-(6-aminopurin-7-yl)-5-methoxy-5-oxo-pentoxy]methylphosphonic acid CAS Name: [3-(6-amino-7-purinyl)-5-methoxy-5-oxopentoxy]methylphosphonic acid IUPAC Name: [3-(6-aminopurin-7-yl)-5-methoxy-5-oxopentoxy]methylphosphonic acid Traditional Name: [3-(6-aminopurin-7-yl)-5-keto-5-methoxy-pentoxy]methylphosphonic acid Formula: C12H18N5O6P MolecularWeight: 359.274981

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCOCP(=O)(O)O)N1C=NC2=C1C(=NC=N2)N

Isomeric SMILES

COC(=O)CC(CCOCP(=O)(O)O)N1C=NC2=C1C(=NC=N2)N

InChI

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