7-(4-azanylbutyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(4-azanylbutyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-aminobutyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(4-aminobutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-aminobutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-aminobutyl)-1,3-dimethyl-xanthine Formula: C11H17N5O2 MolecularWeight: 251.28498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN

InChI

InChI=1S/C11H17N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-6,12H2,1-2H3