1,3-dibutyl-7-(5-phosphonatopentyl)purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(5-phosphonatopentyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(5-phosphonatopentyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(5-phosphonatopentyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(5-phosphonatopentyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(5-phosphonatopentyl)xanthine Formula: C18H29N4O5P-2 MolecularWeight: 412.420421

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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)/p-2