3-methyl-8-(4-methylpiperidin-1-yl)-7-octyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-octyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-methyl-1-piperidyl)-7-octyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-octylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-octylpurine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperidino)-7-octyl-xanthine Formula: C20H33N5O2 MolecularWeight: 375.50832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H33N5O2/c1-4-5-6-7-8-9-12-25-16-17(23(3)20(27)22-18(16)26)21-19(25)24-13-10-15(2)11-14-24/h15H,4-14H2,1-3H3,(H,22,26,27)