7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione

CAS Registry Number®

848658-76-4
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CAS Name

7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione

Molecular Formula

C17H19ClN4O2

Molecular Mass

346.81

Cite this Page

7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-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=848658-76-4 (retrieved 2024-08-21) (CAS RN: 848658-76-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H19ClN4O2/c1-2-3-9-21-13(10-18)19-15-14(21)16(23)20-17(24)22(15)11-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,20,23,24)

InChIKey

InChIKey=BZKGONQOWRKCEO-UHFFFAOYSA-N

SMILES

C(CCC)N1C2=C(N(CC3=CC=CC=C3)C(=O)NC2=O)N=C1CCl

Canonical SMILES

O=C1NC(=O)N(C=2N=C(N(C12)CCCC)CCl)CC=3C=CC=CC3

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-
  • 7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione