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

Systemtic Name: 1,3-dimethyl-7-[3-(4-prop-2-enylpiperazin-1-yl)propyl]purine-2,6-dione dihydrochloride Openeye Name: 7-[3-(4-allylpiperazin-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione dihydrochloride CAS Name: 1,3-dimethyl-7-[3-(4-prop-2-enyl-1-piperazinyl)propyl]purine-2,6-dione dihydrochloride IUPAC Name: 1,3-dimethyl-7-[3-(4-prop-2-enylpiperazin-1-yl)propyl]purine-2,6-dione dihydrochloride Traditional Name: 7-[3-(4-allylpiperazino)propyl]-1,3-dimethyl-xanthine dihydrochloride Formula: C17H28Cl2N6O2 MolecularWeight: 419.34922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CC=C.Cl.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CC=C.Cl.Cl

InChI

InChI=1S/C17H26N6O2.2ClH/c1-4-6-21-9-11-22(12-10-21)7-5-8-23-13-18-15-14(23)16(24)20(3)17(25)19(15)2;;/h4,13H,1,5-12H2,2-3H3;2*1H