8-azanyl-7-(ethoxymethyl)-1-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-(ethoxymethyl)-1-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-(ethoxymethyl)-1-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-(ethoxymethyl)-1-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-(ethoxymethyl)-1-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-(ethoxymethyl)-1-hexyl-3-methyl-xanthine Formula: C15H25N5O3 MolecularWeight: 323.3907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2COCC)N)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2COCC)N)N(C1=O)C

InChI

InChI=1S/C15H25N5O3/c1-4-6-7-8-9-19-13(21)11-12(18(3)15(19)22)17-14(16)20(11)10-23-5-2/h4-10H2,1-3H3,(H2,16,17)