3-methyl-7-(2-oxidanylpropyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanylpropyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-(2-hydroxypropyl)-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-(2-hydroxypropyl)-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxypropyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-hydroxypropyl)-3-methyl-8-piperidino-xanthine Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C14H21N5O3/c1-9(20)8-19-10-11(17(2)14(22)16-12(10)21)15-13(19)18-6-4-3-5-7-18/h9,20H,3-8H2,1-2H3,(H,16,21,22)