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

Systemtic Name: 7-hexyl-1,3-dimethyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-7-hexyl-1,3-dimethyl-xanthine Formula: C24H34N6O2 MolecularWeight: 438.56576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H34N6O2/c1-4-5-6-10-13-30-20-21(26(2)24(32)27(3)22(20)31)25-23(30)29-16-14-28(15-17-29)18-19-11-8-7-9-12-19/h7-9,11-12H,4-6,10,13-18H2,1-3H3