8-(azepan-1-yl)-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-1,3-dimethyl-xanthine Formula: C19H31N5O4 MolecularWeight: 393.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C19H31N5O4/c1-13(2)28-12-14(25)11-24-15-16(21(3)19(27)22(4)17(15)26)20-18(24)23-9-7-5-6-8-10-23/h13-14,25H,5-12H2,1-4H3/t14-/m0/s1