8-(diethylaminomethyl)-1-hexyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(diethylaminomethyl)-1-hexyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(diethylaminomethyl)-1-hexyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(diethylaminomethyl)-1-hexyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(diethylaminomethyl)-1-hexyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(diethylaminomethyl)-1-hexyl-3,7-dimethyl-xanthine Formula: C18H31N5O2 MolecularWeight: 349.47104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2C)CN(CC)CC)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2C)CN(CC)CC)N(C1=O)C

InChI

InChI=1S/C18H31N5O2/c1-6-9-10-11-12-23-17(24)15-16(21(5)18(23)25)19-14(20(15)4)13-22(7-2)8-3/h6-13H2,1-5H3