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

Systemtic Name: 8-(diethylamino)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(diethylamino)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(diethylamino)-3-methyl-xanthine Formula: C15H25N5O2 MolecularWeight: 307.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H25N5O2/c1-5-8-9-10-20-11-12(16-14(20)19(6-2)7-3)18(4)15(22)17-13(11)21/h5-10H2,1-4H3,(H,17,21,22)