SpectraBase Compound ID | 4rTJH6BmFqH |
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InChI | InChI=1S/C20H26N8O/c1-4-5-12(2)24-19(29)13-6-8-15(9-7-13)28(3)11-14-10-23-18-16(25-14)17(21)26-20(22)27-18/h6-10,12H,4-5,11H2,1-3H3,(H,24,29)(H4,21,22,23,26,27) |
InChIKey | SEOUDLUVPQXRMF-UHFFFAOYSA-N |
Mol Weight | 394.48 g/mol |
Molecular Formula | C20H26N8O |
Exact Mass | 394.222957 g/mol |
SpectraBase Spectrum ID | HYpFTRFACbE |
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Name | 2-[p-[N-[2,4-Diaminopteridin-6-ylmethyl]-N-methylamino]benzoylamino]pentane |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 394.222957488 u |
Formula | C20H26N8O |
InChI | InChI=1S/C20H26N8O/c1-4-5-12(2)24-19(29)13-6-8-15(9-7-13)28(3)11-14-10-23-18-16(25-14)17(21)26-20(22)27-18/h6-10,12H,4-5,11H2,1-3H3,(H,24,29)(H4,21,22,23,26,27) |
InChIKey | SEOUDLUVPQXRMF-UHFFFAOYSA-N |
Molecular Weight | 394.483 g/mol |
SMILES | C1=C(CN(C)C2=CC=C(C(NC(CCC)C)=O)C=C2)N=C2C(=N1)N=C(N=C2N)N |