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

Systemtic Name: 7-(2-oxidanylpropyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-(2-hydroxypropyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(2-hydroxypropyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-(2-hydroxypropyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 7-(2-hydroxypropyl)-1,3-dipropyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC(C)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC(C)O

InChI

InChI=1S/C14H22N4O3/c1-4-6-17-12-11(16(9-15-12)8-10(3)19)13(20)18(7-5-2)14(17)21/h9-10,19H,4-8H2,1-3H3