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

Systemtic Name: 1,3-dibutyl-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(2-hydroxypropyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(2-hydroxypropyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(2-hydroxypropyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(2-hydroxypropyl)xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11-12,21H,4-10H2,1-3H3