1,3-dimethyl-7-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)C

InChI

InChI=1S/C19H24N4O4/c1-11-6-7-12(2)16(13(11)3)27-9-14(24)8-23-10-20-17-15(23)18(25)22(5)19(26)21(17)4/h6-7,10,14,24H,8-9H2,1-5H3