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Substance Name: Atrazine mercapturate
RN: 138722-96-0
InChIKey: JYBXBVCDDNBLJW-VIFPVBQESA-N

Molecular Formula

  • C13-H22-N6-O3-S

Molecular Weight

  • 342.422
 
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Names and Synonyms

Name of Substance

  • Atrazine mercapturate

Synonym

  • Atrazine mercapturate

Systematic Name

  • L-Cysteine, N-acetyl-S-(4-(ethylamino)-6-((1-methylethyl)amino)-1,3,5-triazin-2-yl)-

Registry Numbers

CAS Registry Number

  • 138722-96-0

System Generated Number

  • 0138722960

Structure Descriptors

InChI

1S/C13H22N6O3S/c1-5-14-11-17-12(15-7(2)3)19-13(18-11)23-6-9(10(21)22)16-8(4)20/h7,9H,5-6H2,1-4H3,(H,16,20)(H,21,22)(H2,14,15,17,18,19)/t9-/m0/s1

InChIKey

JYBXBVCDDNBLJW-VIFPVBQESA-N

Smiles

C([C@@H](NC(=O)C)CSc1nc(nc(n1)NCC)NC(C)C)(=O)O