1-(5-azanylhexyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(5-azanylhexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(5-aminohexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-aminohexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-aminohexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-aminohexyl)-3,7-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

InChI

InChI=1S/C13H21N5O2/c1-9(14)6-4-5-7-18-12(19)10-11(15-8-16(10)2)17(3)13(18)20/h8-9H,4-7,14H2,1-3H3