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

Systemtic Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylmethylamino)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylmethylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylmethylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylmethylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-hydroxy-3-(1-pyrrolin-2-ylmethylamino)propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C15H23ClN6O3 MolecularWeight: 370.83452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC3=NCCC3)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC3=NCCC3)O.Cl

InChI

InChI=1S/C15H22N6O3.ClH/c1-19-13-12(14(23)20(2)15(19)24)21(9-18-13)8-11(22)7-16-6-10-4-3-5-17-10;/h9,11,16,22H,3-8H2,1-2H3;1H