Details
Stereochemistry | ACHIRAL |
Molecular Formula | C34H30N12O6S2.2Na |
Molecular Weight | 812.788 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CNC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(NC)=NC(NC6=CC=CC=C6)=N5)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=N1
InChI
InChIKey=KQIXHGNMGGYJAC-QDBORUFSSA-L
InChI=1S/C34H32N12O6S2.2Na/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46);;/q;2*+1/p-2/b14-13+;;
Approval Year
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DTXSID90891787
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31900-04-6
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250-860-8
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6439960
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S3GWQ1ID6Z
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admin on Fri Dec 15 19:38:12 GMT 2023 , Edited by admin on Fri Dec 15 19:38:12 GMT 2023
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SUBSTANCE RECORD