8-(azepan-1-yl)-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-hexyl-3-methyl-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29N5O2/c1-3-4-5-10-13-23-14-15(21(2)18(25)20-16(14)24)19-17(23)22-11-8-6-7-9-12-22/h3-13H2,1-2H3,(H,20,24,25)