7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-[(3R)-3-methyl-1-piperidyl]purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[(3R)-3-methyl-1-piperidinyl]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidino]xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCCC(C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCC[C@H](C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-6-9(2)8-18/h9H,4-8H2,1-3H3,(H,16,20,21)/t9-/m1/s1