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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC(C3)C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC[C@@H](C3)C

InChI

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