1,3-dibutyl-7-(4-oxidanylidenepentyl)purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(4-oxidanylidenepentyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(4-oxopentyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(4-oxopentyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(4-oxopentyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(4-ketopentyl)xanthine Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-4-6-11-21-16-15(17(24)22(18(21)25)12-7-5-2)20(13-19-16)10-8-9-14(3)23/h13H,4-12H2,1-3H3