7-hexadecyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-piperidino-xanthine Formula: C27H47N5O2 MolecularWeight: 473.69438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C27H47N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32-23-24(30(2)27(34)29-25(23)33)28-26(32)31-20-17-16-18-21-31/h3-22H2,1-2H3,(H,29,33,34)