| SpectraBase Spectrum ID |
1LBkTtXqwIf |
| Name |
2-[2'-(3"-Methylphenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one |
| Alternate Name(s) |
2-[2-(3-methylphenoxy)-4-pyrimidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-(3-methylphenoxy)pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19N5O2 |
| InChI |
InChI=1S/C18H19N5O2/c1-13-6-5-7-14(12-13)25-17-19-10-9-15(20-17)23-18(24)22-11-4-2-3-8-16(22)21-23/h5-7,9-10,12H,2-4,8,11H2,1H3 |
| InChIKey |
OEUHDMSMJIXFAR-UHFFFAOYSA-N |
| Molecular Weight |
337.383 g/mol |
| SMILES |
C1(N(N=C2CCCCCN12)c1nc(Oc2cc(C)ccc2)ncc1)=O |
| SPLASH |
splash10-000i-0933000000-1541e5bfdea8f28b4c42 |
| Source of Spectrum |
AJ-43-1276-5 |
| Wiley ID |
1594314 |
![2-[2'-(3"-Methylphenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/1LBkTtXqwIf/structure.png?h=300&w=458 "2-[2'-(3\"-Methylphenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
