5-[7-(1-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentylphosphonic acid

Systemtic Name: 5-[7-(1-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentylphosphonic acid Openeye Name: 5-[7-(1-methoxyethyl)-3-methyl-2,6-dioxo-purin-1-yl]pentylphosphonic acid CAS Name: 5-[7-(1-methoxyethyl)-3-methyl-2,6-dioxo-1-purinyl]pentylphosphonic acid IUPAC Name: 5-[7-(1-methoxyethyl)-3-methyl-2,6-dioxopurin-1-yl]pentylphosphonic acid Traditional Name: 5-[2,6-diketo-7-(1-methoxyethyl)-3-methyl-purin-1-yl]pentylphosphonic acid Formula: C14H23N4O6P MolecularWeight: 374.329381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N4O6P/c1-10(24-3)18-9-15-12-11(18)13(19)17(14(20)16(12)2)7-5-4-6-8-25(21,22)23/h9-10H,4-8H2,1-3H3,(H2,21,22,23)