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

Systemtic Name: 5-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]pentylphosphonic acid Openeye Name: 5-(1,3-dimethyl-2,6-dioxo-purin-7-yl)pentylphosphonic acid CAS Name: 5-(1,3-dimethyl-2,6-dioxo-7-purinyl)pentylphosphonic acid IUPAC Name: 5-(1,3-dimethyl-2,6-dioxopurin-7-yl)pentylphosphonic acid Traditional Name: 5-(2,6-diketo-1,3-dimethyl-purin-7-yl)pentylphosphonic acid Formula: C12H19N4O5P MolecularWeight: 330.276821

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCP(=O)(O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCP(=O)(O)O

InChI

InChI=1S/C12H19N4O5P/c1-14-10-9(11(17)15(2)12(14)18)16(8-13-10)6-4-3-5-7-22(19,20)21/h8H,3-7H2,1-2H3,(H2,19,20,21)