N-(3-Chlorophenyl)-2-[(6,9-dihydro-9-methyl-6-oxo-1H-purin-8-yl)thio]acetamide

CAS Registry Number®

1030513-70-2

CAS Name

N-(3-Chlorophenyl)-2-[(6,9-dihydro-9-methyl-6-oxo-1H-purin-8-yl)thio]acetamide

Molecular Formula

C14H12ClN5O2S

Molecular Mass

349.80

Cite this Page

N-(3-Chlorophenyl)-2-[(6,9-dihydro-9-methyl-6-oxo-1H-purin-8-yl)thio]acetamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1030513-70-2 (retrieved 2024-10-28) (CAS RN: 1030513-70-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H12ClN5O2S/c1-20-12-11(13(22)17-7-16-12)19-14(20)23-6-10(21)18-9-4-2-3-8(15)5-9/h2-5,7H,6H2,1H3,(H,18,21)(H,16,17,22)

InChIKey

InChIKey=XPKPAHVZVYXLLQ-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(SCC(NC3=CC(Cl)=CC=C3)=O)=N2)NC=N1

Canonical SMILES

O=C1N=CNC2=C1N=C(SCC(=O)NC=3C=CC=C(Cl)C3)N2C

Other Names for this Substance

  • Acetamide, N-(3-chlorophenyl)-2-[(6,9-dihydro-9-methyl-6-oxo-1H-purin-8-yl)thio]-
  • N-(3-Chlorophenyl)-2-[(6,9-dihydro-9-methyl-6-oxo-1H-purin-8-yl)thio]acetamide

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS