3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-(4-morpholin-4-iumyl)ethyl]-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C17H28N6O4+2 MolecularWeight: 380.44202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CC[NH+]4CCOCC4

InChI

InChI=1S/C17H26N6O4/c1-20-15-14(16(24)19-17(20)25)23(3-2-21-4-8-26-9-5-21)13(18-15)12-22-6-10-27-11-7-22/h2-12H2,1H3,(H,19,24,25)/p+2