7-hexyl-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-hexyl-3-methyl-xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H33N5O2/c1-3-4-5-9-14-29-20-21(27(2)24(31)26-22(20)30)25-23(29)28-15-12-19(13-16-28)17-18-10-7-6-8-11-18/h6-8,10-11,19H,3-5,9,12-17H2,1-2H3,(H,26,30,31)