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

Systemtic Name: 5-[1,3-dibutyl-2,6-bis(oxidanylidene)purin-7-yl]pentylphosphonic acid Openeye Name: 5-(1,3-dibutyl-2,6-dioxo-purin-7-yl)pentylphosphonic acid CAS Name: 5-(1,3-dibutyl-2,6-dioxo-7-purinyl)pentylphosphonic acid IUPAC Name: 5-(1,3-dibutyl-2,6-dioxopurin-7-yl)pentylphosphonic acid Traditional Name: 5-(1,3-dibutyl-2,6-diketo-purin-7-yl)pentylphosphonic acid Formula: C18H31N4O5P MolecularWeight: 414.436301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCCCCP(=O)(O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCCCCP(=O)(O)O

InChI

InChI=1S/C18H31N4O5P/c1-3-5-11-21-16-15(17(23)22(18(21)24)12-6-4-2)20(14-19-16)10-8-7-9-13-28(25,26)27/h14H,3-13H2,1-2H3,(H2,25,26,27)