8-(hexylamino)-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(hexylamino)-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-(hexylamino)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-(hexylamino)-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-(hexylamino)-1,3-dimethyl-7-propyl-xanthine Formula: C16H27N5O2 MolecularWeight: 321.41788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CCC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CCC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H27N5O2/c1-5-7-8-9-10-17-15-18-13-12(21(15)11-6-2)14(22)20(4)16(23)19(13)3/h5-11H2,1-4H3,(H,17,18)