3-[7-(1-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]propylphosphonic acid

Systemtic Name: 3-[7-(1-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]propylphosphonic acid Openeye Name: 3-[7-(1-methoxyethyl)-3-methyl-2,6-dioxo-purin-1-yl]propylphosphonic acid CAS Name: 3-[7-(1-methoxyethyl)-3-methyl-2,6-dioxo-1-purinyl]propylphosphonic acid IUPAC Name: 3-[7-(1-methoxyethyl)-3-methyl-2,6-dioxopurin-1-yl]propylphosphonic acid Traditional Name: 3-[2,6-diketo-7-(1-methoxyethyl)-3-methyl-purin-1-yl]propylphosphonic acid Formula: C12H19N4O6P MolecularWeight: 346.276221

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)(O)O)OC

Isomeric SMILES

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)(O)O)OC

InChI

InChI=1S/C12H19N4O6P/c1-8(22-3)16-7-13-10-9(16)11(17)15(12(18)14(10)2)5-4-6-23(19,20)21/h7-8H,4-6H2,1-3H3,(H2,19,20,21)