1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione dihydrochloride

Systemtic Name: 1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione dihydrochloride Openeye Name: 1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione dihydrochloride CAS Name: 1,3-dimethyl-7-[2-(1-piperazinyl)ethyl]purine-2,6-dione dihydrochloride IUPAC Name: 1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione dihydrochloride Traditional Name: 1,3-dimethyl-7-(2-piperazinoethyl)xanthine dihydrochloride Formula: C13H22Cl2N6O2 MolecularWeight: 365.25878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCNCC3.Cl.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCNCC3.Cl.Cl

InChI

InChI=1S/C13H20N6O2.2ClH/c1-16-11-10(12(20)17(2)13(16)21)19(9-15-11)8-7-18-5-3-14-4-6-18;;/h9,14H,3-8H2,1-2H3;2*1H