7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-hydroxy-3-[2-hydroxyethyl(1-pyrrolin-2-yl)amino]propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C16H25ClN6O4 MolecularWeight: 400.8605

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCC3)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCC3)O.Cl

InChI

InChI=1S/C16H24N6O4.ClH/c1-19-14-13(15(25)20(2)16(19)26)22(10-18-14)9-11(24)8-21(6-7-23)12-4-3-5-17-12;/h10-11,23-24H,3-9H2,1-2H3;1H