[2-(6-aminopurin-9-yl)-2,2-diethoxy-1-methoxy-ethyl]phosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-2,2-diethoxy-1-methoxy-ethyl]phosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-2,2-diethoxy-1-methoxy-ethyl]phosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-2,2-diethoxy-1-methoxyethyl]phosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-2,2-diethoxy-1-methoxyethyl]phosphonic acid Traditional Name: (2-adenin-9-yl-2,2-diethoxy-1-methoxy-ethyl)phosphonic acid Formula: C12H20N5O6P MolecularWeight: 361.290861

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(OC)P(=O)(O)O)(N1C=NC2=C1N=CN=C2N)OCC

Isomeric SMILES

CCOC(C(OC)P(=O)(O)O)(N1C=NC2=C1N=CN=C2N)OCC

InChI

InChI=1S/C12H20N5O6P/c1-4-22-12(23-5-2,11(21-3)24(18,19)20)17-7-16-8-9(13)14-6-15-10(8)17/h6-7,11H,4-5H2,1-3H3,(H2,13,14,15)(H2,18,19,20)