1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]purine-2,6-dione dihydrochloride

Systemtic Name: 1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]purine-2,6-dione dihydrochloride Openeye Name: 7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione dihydrochloride CAS Name: 7-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-1,3-dimethylpurine-2,6-dione dihydrochloride IUPAC Name: 7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione dihydrochloride Traditional Name: 7-[2-hydroxy-3-(4-methylpiperazino)propyl]-1,3-dimethyl-xanthine dihydrochloride Formula: C15H26Cl2N6O3 MolecularWeight: 409.31134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O.Cl.Cl

InChI

InChI=1S/C15H24N6O3.2ClH/c1-17-4-6-20(7-5-17)8-11(22)9-21-10-16-13-12(21)14(23)19(3)15(24)18(13)2;;/h10-11,22H,4-9H2,1-3H3;2*1H