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

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidenepropyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-oxopropyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-acetonyl-1,3-dimethyl-8-piperidino-xanthine Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H21N5O3/c1-10(21)9-20-11-12(17(2)15(23)18(3)13(11)22)16-14(20)19-7-5-4-6-8-19/h4-9H2,1-3H3