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

Systemtic Name: 1,3-dibutyl-7-(4-oxidanylidenepentan-2-yl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(1-methyl-3-oxo-butyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(4-oxopentan-2-yl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(4-oxopentan-2-yl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3-keto-1-methyl-butyl)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)C(C)CC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-5-7-9-20-16-15(17(24)21(18(20)25)10-8-6-2)22(12-19-16)13(3)11-14(4)23/h12-13H,5-11H2,1-4H3