1-[3-(azepan-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(azepan-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(1-azepanyl)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(azepan-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCCCCC3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCCCCC3

InChI

InChI=1S/C16H25N5O2/c1-18-12-17-14-13(18)15(22)21(16(23)19(14)2)11-7-10-20-8-5-3-4-6-9-20/h12H,3-11H2,1-2H3