8-azanyl-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-cetyl-3-methyl-xanthine Formula: C22H39N5O2 MolecularWeight: 405.57736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H39N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18-19(24-21(27)23)26(2)22(29)25-20(18)28/h3-17H2,1-2H3,(H2,23,24)(H,25,28,29)