3,7-dimethyl-1-[2-oxidanyl-3-(oxidanylamino)propyl]purine-2,6-dione hydrochloride

Systemtic Name: 3,7-dimethyl-1-[2-oxidanyl-3-(oxidanylamino)propyl]purine-2,6-dione hydrochloride Openeye Name: 1-[2-hydroxy-3-(hydroxyamino)propyl]-3,7-dimethyl-purine-2,6-dione hydrochloride CAS Name: 1-[2-hydroxy-3-(hydroxyamino)propyl]-3,7-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 1-[2-hydroxy-3-(hydroxyamino)propyl]-3,7-dimethylpurine-2,6-dione hydrochloride Traditional Name: 1-[2-hydroxy-3-(hydroxyamino)propyl]-3,7-dimethyl-xanthine hydrochloride Formula: C10H16ClN5O4 MolecularWeight: 305.71814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CNO)O.Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CNO)O.Cl

InChI

InChI=1S/C10H15N5O4.ClH/c1-13-5-11-8-7(13)9(17)15(10(18)14(8)2)4-6(16)3-12-19;/h5-6,12,16,19H,3-4H2,1-2H3;1H