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

Systemtic Name: 3-methyl-8-[(3S)-3-methylpiperidin-1-yl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(3S)-3-methyl-1-piperidyl]-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[(3S)-3-methyl-1-piperidinyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(3S)-3-methylpiperidin-1-yl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[(3S)-3-methylpiperidino]xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCCC(C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCC[C@@H](C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O2/c1-4-5-6-10-22-13-14(20(3)17(24)19-15(13)23)18-16(22)21-9-7-8-12(2)11-21/h12H,4-11H2,1-3H3,(H,19,23,24)/t12-/m0/s1