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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]propylphosphonic acid Openeye Name: 3-(3-methyl-2,6-dioxo-7-propyl-purin-1-yl)propylphosphonic acid CAS Name: 3-(3-methyl-2,6-dioxo-7-propyl-1-purinyl)propylphosphonic acid IUPAC Name: 3-(3-methyl-2,6-dioxo-7-propylpurin-1-yl)propylphosphonic acid Traditional Name: 3-(2,6-diketo-3-methyl-7-propyl-purin-1-yl)propylphosphonic acid Formula: C12H19N4O5P MolecularWeight: 330.276821

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)(O)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)(O)O

InChI

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