7-(2-azanylidene-2-morpholin-4-yl-ethyl)-1,3-dimethyl-purine-2,6-dione hydrate hydrochloride

Systemtic Name: 7-(2-azanylidene-2-morpholin-4-yl-ethyl)-1,3-dimethyl-purine-2,6-dione hydrate hydrochloride Openeye Name: 7-(2-imino-2-morpholino-ethyl)-1,3-dimethyl-purine-2,6-dione hydrate hydrochloride CAS Name: 7-[2-imino-2-(4-morpholinyl)ethyl]-1,3-dimethylpurine-2,6-dione hydrate hydrochloride IUPAC Name: 7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione hydrate hydrochloride Traditional Name: 7-(2-imino-2-morpholino-ethyl)-1,3-dimethyl-xanthine hydrate hydrochloride Formula: C13H21ClN6O4 MolecularWeight: 360.79664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=N)N3CCOCC3.O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=N)N3CCOCC3.O.Cl

InChI

InChI=1S/C13H18N6O3.ClH.H2O/c1-16-11-10(12(20)17(2)13(16)21)19(8-15-11)7-9(14)18-3-5-22-6-4-18;;/h8,14H,3-7H2,1-2H3;1H;1H2