7-(2-hydroxyethyl)-3-methyl-8-(pentylamino)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-(pentylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H21N5O3/c1-3-4-5-6-14-12-15-10-9(18(12)7-8-19)11(20)16-13(21)17(10)2/h19H,3-8H2,1-2H3,(H,14,15)(H,16,20,21)