| Properties | Image |
MNX_ID | MNXM161327 |
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reference | keggD:D05949 |
formula | C10H9N4NaO2S |
global charge | 0 |
mol weight | 272.265 |
InChIKey | JLDCNMJPBBKAHH-UHFFFAOYSA-N |
InChI | InChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1 |
SMILES | NC1=CC=C(S(=O)(=O)[N-]C2=NC=CC=N2)C=C1.[Na+] |
MNX internals
InChI (mnx) | InChI=1/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1 |
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SMILES (mnx) | [CH:1]1=[CH:6][N:12]=[C:10]([N-:14][S:17]([C:9]2=[CH:5][CH:3]=[C:8]([NH2:11])[CH:2]=[CH:4]2)(=[O:15])=[O:16])[N:13]=[CH:7]1.[Na+:18] |
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