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

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-7-hexyl-1,3-dimethyl-xanthine Formula: C20H34N6O2 MolecularWeight: 390.52296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC

InChI

InChI=1S/C20H34N6O2/c1-5-7-8-9-10-26-16(15-25-13-11-24(6-2)12-14-25)21-18-17(26)19(27)23(4)20(28)22(18)3/h5-15H2,1-4H3