7-hexyl-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-hexyl-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-hexyl-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-hexyl-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-hexyl-1,3-dimethyl-8-piperidino-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H29N5O2/c1-4-5-6-10-13-23-14-15(20(2)18(25)21(3)16(14)24)19-17(23)22-11-8-7-9-12-22/h4-13H2,1-3H3