8-(ethylamino)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(ethylamino)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(ethylamino)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(ethylamino)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(ethylamino)-3-methyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H21N5O2/c1-4-6-7-8-18-9-10(15-12(18)14-5-2)17(3)13(20)16-11(9)19/h4-8H2,1-3H3,(H,14,15)(H,16,19,20)