1,3-dimethyl-7-(2-oxidanylidenepropyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidenepropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-oxopropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-acetonyl-1,3-dimethyl-8-piperazino-xanthine Formula: C14H20N6O3 MolecularWeight: 320.347

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H20N6O3/c1-9(21)8-20-10-11(17(2)14(23)18(3)12(10)22)16-13(20)19-6-4-15-5-7-19/h15H,4-8H2,1-3H3