8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-isobutyl-3-methyl-xanthine Formula: C16H27N6O2+ MolecularWeight: 335.42458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H26N6O2/c1-5-20-6-8-21(9-7-20)15-17-13-12(22(15)10-11(2)3)14(23)18-16(24)19(13)4/h11H,5-10H2,1-4H3,(H,18,23,24)/p+1