![2-[2'-(4"-<Ethoxycarbonyl-propoxy>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/CkiypKdnJbl/structure.png?h=300&w=458 "2-[2'-(4\"-<Ethoxycarbonyl-propoxy>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
| SpectraBase Compound ID | EvGCy0r3DbT |
|---|---|
| InChI | InChI=1S/C23H25N5O6/c1-3-32-20(29)15(2)33-21(30)16-8-10-17(11-9-16)34-22-24-13-12-18(25-22)28-23(31)27-14-6-4-5-7-19(27)26-28/h8-13,15H,3-7,14H2,1-2H3 |
| InChIKey | GZSHLHHKFAXIMH-UHFFFAOYSA-N |
| Mol Weight | 467.48 g/mol |
| Molecular Formula | C23H25N5O6 |
| Exact Mass | 467.180484 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CkiypKdnJbl |
|---|---|
| Name | 2-[2'-(4"- |
| Alternate Name(s) | 4-[[4-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-2-pyrimidinyl]oxy]benzoic acid (1-ethoxy-1-oxopropan-2-yl) ester (1-ethoxy-1-oxopropan-2-yl) 4-[4-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxybenzoate (2-ethoxy-1-methyl-2-oxo-ethyl) 4-[4-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxybenzoate (1-ethoxy-1-oxidanylidene-propan-2-yl) 4-[4-(3-oxidanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxybenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H25N5O6 |
| InChI | InChI=1S/C23H25N5O6/c1-3-32-20(29)15(2)33-21(30)16-8-10-17(11-9-16)34-22-24-13-12-18(25-22)28-23(31)27-14-6-4-5-7-19(27)26-28/h8-13,15H,3-7,14H2,1-2H3 |
| InChIKey | GZSHLHHKFAXIMH-UHFFFAOYSA-N |
| Molecular Weight | 467.482 g/mol |
| SMILES | C1(N(N=C2CCCCCN12)c1nc(Oc2ccc(C(OC(C(=O)OCC)C)=O)cc2)ncc1)=O |
| SPLASH | splash10-0fsi-0009100000-defe0824bd7019c2b440 |
| Source of Spectrum | AJ-43-1276-5 |
| Wiley ID | 1594305 |