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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-7-[2-(4-morpholin-4-iumyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(2-morpholin-4-ium-4-ylethyl)xanthine Formula: C19H34N7O3+3 MolecularWeight: 408.51836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N7O3/c1-21-4-6-25(7-5-21)14-15-20-17-16(18(27)23(3)19(28)22(17)2)26(15)9-8-24-10-12-29-13-11-24/h4-14H2,1-3H3/p+3