3-methyl-8-morpholin-4-yl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholinyl)-7-[2-(1-piperidin-1-iumyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-morpholin-4-yl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-(2-piperidin-1-ium-1-ylethyl)xanthine Formula: C17H27N6O3+ MolecularWeight: 363.43468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC[NH+]4CCCCC4

InChI

InChI=1S/C17H26N6O3/c1-20-14-13(15(24)19-17(20)25)23(8-7-21-5-3-2-4-6-21)16(18-14)22-9-11-26-12-10-22/h2-12H2,1H3,(H,19,24,25)/p+1