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

Systemtic Name: 3-butyl-1,7-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-butyl-1,7-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-butyl-1,7-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-butyl-1,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-butyl-1,7-dimethyl-8-piperidino-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)C

InChI

InChI=1S/C16H25N5O2/c1-4-5-11-21-13-12(14(22)19(3)16(21)23)18(2)15(17-13)20-9-7-6-8-10-20/h4-11H2,1-3H3