8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-1H-purine-2,6-dione

CAS Registry Number®

418808-72-7
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CAS Name

8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-1H-purine-2,6-dione

Molecular Formula

C22H26N6O4

Molecular Mass

438.48

Cite this Page

8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=418808-72-7 (retrieved 2024-09-09) (CAS RN: 418808-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QCLPYRAPWNFUDU-UHFFFAOYSA-N

SMILES

C(C(COC1=CC=C(CC)C=C1)O)N2C(=NC3=C2C(=O)NC(=O)N3C)N4C(C)=CC(C)=N4

Canonical SMILES

O=C1NC(=O)N(C=2N=C(N3N=C(C=C3C)C)N(C12)CC(O)COC4=CC=C(C=C4)CC)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-
  • 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-1H-purine-2,6-dione