| SpectraBase Spectrum ID |
JrW6hFggkPP |
| Name |
2-[2'-(4"-phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H19N5O4 |
| InChI |
InChI=1S/C19H19N5O4/c1-27-17(25)13-6-8-14(9-7-13)28-18-20-11-10-15(21-18)24-19(26)23-12-4-2-3-5-16(23)22-24/h6-11H,2-5,12H2,1H3 |
| InChIKey |
BUHOXLFWUCFUPE-UHFFFAOYSA-N |
| Molecular Weight |
381.392 g/mol |
| SMILES |
C1(N(N=C2CCCCCN12)c1nc(Oc2ccc(C(=O)OC)cc2)ncc1)=O |
| SPLASH |
splash10-0ue9-0009000000-320f05481ee56877f8bb |
| Source of Spectrum |
AJ-43-1276-5 |
| Synonyms |
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 methyl ester
Methyl 4-[4-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxybenzoate
Methyl 4-[4-(3-oxidanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxybenzoate |
| Wiley ID |
1594307 |
![2-[2'-(4"-<Methylenedioxy>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/JrW6hFggkPP/structure.png?h=300&w=458 "2-[2'-(4\"-<Methylenedioxy>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
