1-(4-oxidanylpentyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 1-(4-oxidanylpentyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 1-(4-hydroxypentyl)-3-propyl-7H-purine-2,6-dione CAS Name: 1-(4-hydroxypentyl)-3-propyl-7H-purine-2,6-dione IUPAC Name: 1-(4-hydroxypentyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 1-(4-hydroxypentyl)-3-propyl-7H-purine-2,6-quinone Formula: C13H20N4O3 MolecularWeight: 280.3229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCCC(C)O)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCCC(C)O)NC=N2

InChI

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