8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-xanthine Formula: C17H30N6O3+2 MolecularWeight: 366.4585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H28N6O3/c1-5-21-6-8-22(9-7-21)12-13-18-15-14(23(13)10-11-26-4)16(24)20(3)17(25)19(15)2/h5-12H2,1-4H3/p+2