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

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-1,3-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]purine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)xanthine Formula: C20H36N7O3+3 MolecularWeight: 422.54494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2CC[NH+]4CCOCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2CC[NH+]4CCOCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H33N7O3/c1-4-24-5-7-26(8-6-24)15-16-21-18-17(19(28)23(3)20(29)22(18)2)27(16)10-9-25-11-13-30-14-12-25/h4-15H2,1-3H3/p+3