8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H26N6O4/c1-13-8-6-7-9-17(13)32-12-16(29)11-27-18-19(25(4)22(31)26(5)20(18)30)23-21(27)28-15(3)10-14(2)24-28/h6-10,16,29H,11-12H2,1-5H3