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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(pyridin-3-ylmethylamino)propyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-hydroxy-3-(3-pyridylmethylamino)propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-hydroxy-3-(3-pyridinylmethylamino)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-hydroxy-3-(pyridin-3-ylmethylamino)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-hydroxy-3-(3-pyridylmethylamino)propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C16H21ClN6O3 MolecularWeight: 380.82934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC3=CN=CC=C3)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC3=CN=CC=C3)O.Cl

InChI

InChI=1S/C16H20N6O3.ClH/c1-20-14-13(15(24)21(2)16(20)25)22(10-19-14)9-12(23)8-18-7-11-4-3-5-17-6-11;/h3-6,10,12,18,23H,7-9H2,1-2H3;1H