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

Systemtic Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-(4-morpholin-4-iumyl)ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholino-xanthine Formula: C16H25N6O4+ MolecularWeight: 365.4075

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC[NH+]4CCOCC4

InChI

InChI=1S/C16H24N6O4/c1-19-13-12(14(23)18-16(19)24)22(3-2-20-4-8-25-9-5-20)15(17-13)21-6-10-26-11-7-21/h2-11H2,1H3,(H,18,23,24)/p+1