CAS Registry Number®

1217002-93-1

Molecular Formula

C13H13N3.C2H4O2

Cite this Page

.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1217002-93-1 (retrieved 2025-01-08) (CAS RN: 1217002-93-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)/i1+1,13+1,14+1;

InChIKey

InChIKey=UXNRBAJNAWIPGF-PBLHTNPHSA-N

SMILES

CC1=C2C(NC=3C2=CC=CC3)=C([13CH3])[13C]([15NH2])=N1.C(C)(O)=O

Canonical SMILES

O=C(O)C.N=1C(N)=C(C=2NC=3C=CC=CC3C2C1C)C

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