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1,3-dimethyl-9-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

1,3-dimethyl-9-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name:1,3-dimethyl-9-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione
Openeye Name:9-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione
CAS Name:9-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
IUPAC Name:9-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
Traditional Name:9-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine
Formula: C16H18N4O4
MolecularWeight: 330.33852
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(COC3=CC=CC=C3)O


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(COC3=CC=CC=C3)O


InChI

InChI=1S/C16H18N4O4/c1-18-14-13(15(22)19(2)16(18)23)17-10-20(14)8-11(21)9-24-12-6-4-3-5-7-12/h3-7,10-11,21H,8-9H2,1-2H3


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