8-[4-(2-chloroethyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione hydrochloride

Systemtic Name: 8-[4-(2-chloroethyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione hydrochloride Openeye Name: 8-[4-(2-chloroethyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione hydrochloride CAS Name: 8-[4-(2-chloroethyl)-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione hydrochloride IUPAC Name: 8-[4-(2-chloroethyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione hydrochloride Traditional Name: 8-[4-(2-chloroethyl)piperazino]-1,3-dimethyl-7H-purine-2,6-quinone hydrochloride Formula: C13H20Cl2N6O2 MolecularWeight: 363.2429

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CCCl.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CCCl.Cl

InChI

InChI=1S/C13H19ClN6O2.ClH/c1-17-10-9(11(21)18(2)13(17)22)15-12(16-10)20-7-5-19(4-3-14)6-8-20;/h3-8H2,1-2H3,(H,15,16);1H