5-(1-oxidanylpentyl)-3-propyl-purine-2,6-dione

Systemtic Name: 5-(1-oxidanylpentyl)-3-propyl-purine-2,6-dione Openeye Name: 5-(1-hydroxypentyl)-3-propyl-purine-2,6-dione CAS Name: 5-(1-hydroxypentyl)-3-propylpurine-2,6-dione IUPAC Name: 5-(1-hydroxypentyl)-3-propylpurine-2,6-dione Traditional Name: 5-(1-hydroxypentyl)-3-propyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C12C(=O)NC(=O)N(C1=NC=N2)CCC)O

Isomeric SMILES

CCCCC(C12C(=O)NC(=O)N(C1=NC=N2)CCC)O

InChI

InChI=1S/C13H20N4O3/c1-3-5-6-9(18)13-10(14-8-15-13)17(7-4-2)12(20)16-11(13)19/h8-9,18H,3-7H2,1-2H3,(H,16,19,20)