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

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-keto-1-methyl-propyl)-1,3-dimethyl-8-piperidino-xanthine Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C(=O)C)N1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H23N5O3/c1-10(11(2)22)21-12-13(18(3)16(24)19(4)14(12)23)17-15(21)20-8-6-5-7-9-20/h10H,5-9H2,1-4H3