7-[3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione hydrochloride

Systemtic Name: 7-[3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione hydrochloride Openeye Name: 8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione hydrochloride IUPAC Name: 8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 8-(benzylamino)-7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C20H29ClN6O4 MolecularWeight: 452.93506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN(C)CCO)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN(C)CCO)O.Cl

InChI

InChI=1S/C20H28N6O4.ClH/c1-23(9-10-27)12-15(28)13-26-16-17(24(2)20(30)25(3)18(16)29)22-19(26)21-11-14-7-5-4-6-8-14;/h4-8,15,27-28H,9-13H2,1-3H3,(H,21,22);1H