1,3-dimethyl-7-(2-oxidanyl-3-piperazin-1-yl-propyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-piperazin-1-yl-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-piperazin-1-yl-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-piperazinyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-piperazino-propyl)-1,3-dimethyl-xanthine Formula: C14H22N6O3 MolecularWeight: 322.36288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCNCC3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCNCC3)O

InChI

InChI=1S/C14H22N6O3/c1-17-12-11(13(22)18(2)14(17)23)20(9-16-12)8-10(21)7-19-5-3-15-4-6-19/h9-10,15,21H,3-8H2,1-2H3