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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CN3CCNCC3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CN3CCNCC3)O

InChI

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