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

Systemtic Name: 7-(4-azanylidene-4-morpholin-4-yl-butyl)-1,3-dimethyl-purine-2,6-dione hydrate hydrochloride Openeye Name: 7-(4-imino-4-morpholino-butyl)-1,3-dimethyl-purine-2,6-dione hydrate hydrochloride CAS Name: 7-[4-imino-4-(4-morpholinyl)butyl]-1,3-dimethylpurine-2,6-dione hydrate hydrochloride IUPAC Name: 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione hydrate hydrochloride Traditional Name: 7-(4-imino-4-morpholino-butyl)-1,3-dimethyl-xanthine hydrate hydrochloride Formula: C15H25ClN6O4 MolecularWeight: 388.8498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O3.ClH.H2O/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20;;/h10,16H,3-9H2,1-2H3;1H;1H2