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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]propylphosphonic acid Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-1-yl)propylphosphonic acid CAS Name: 3-(3,7-dibutyl-2,6-dioxo-1-purinyl)propylphosphonic acid IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-1-yl)propylphosphonic acid Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-1-yl)propylphosphonic acid Formula: C16H27N4O5P MolecularWeight: 386.383141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCCP(=O)(O)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCCP(=O)(O)O

InChI

InChI=1S/C16H27N4O5P/c1-3-5-8-18-12-17-14-13(18)15(21)20(10-7-11-26(23,24)25)16(22)19(14)9-6-4-2/h12H,3-11H2,1-2H3,(H2,23,24,25)