Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H22N8O5 |
Molecular Weight | 454.4393 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O
InChI
InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
Approval Year
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4112
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60388-53-6
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DTXSID40859034
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757113
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262-213-7
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117356
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99ITO15X8S
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admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
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METABOLITE (PARENT)
SUBSTANCE RECORD