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

Systemtic Name: 8-[4-(2-chloroethyl)piperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-(2-chloroethyl)piperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-(2-chloroethyl)-1-piperazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-(2-chloroethyl)piperazin-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-(2-chloroethyl)piperazino]-1,3,7-trimethyl-xanthine Formula: C14H21ClN6O2 MolecularWeight: 340.80854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)CCCl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)CCCl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H21ClN6O2/c1-17-10-11(18(2)14(23)19(3)12(10)22)16-13(17)21-8-6-20(5-4-15)7-9-21/h4-9H2,1-3H3