| SpectraBase Spectrum ID |
9zyyPvXiicn |
| Name |
1-Methyl-7-{[3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]amino}-3,4,5,6-tetrahydro-2H-azepin-1-ium chloride |
| Alternate Name(s) |
3-Methyl-7-[3-[(1-methyl-2-azepanylidene)amino]propyl]purine-2,6-dione;hydrochloride
3-Methyl-7-[3-[(1-methylazepan-2-ylidene)amino]propyl]purine-2,6-dione;hydrochloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25ClN6O2 |
| InChI |
InChI=1S/C16H24N6O2.ClH/c1-20-9-5-3-4-7-12(20)17-8-6-10-22-11-18-14-13(22)15(23)19-16(24)21(14)2;/h11H,3-10H2,1-2H3,(H,19,23,24);1H |
| InChIKey |
DSQIRNLEBOUNMW-UHFFFAOYSA-N |
| Molecular Weight |
368.869 g/mol |
| SMILES |
[Cl-].N1C(c2[n](CCCNC3=[N+](C)CCCCC3)cnc2N(C1=O)C)=O |
| SPLASH |
splash10-0udl-9600000000-64cac16247cdeff847fd |
| Source of Spectrum |
IY-3-92-0 |
| Wiley ID |
1718040 |
![1-Methyl-7-{[3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]amino}-3,4,5,6-tetrahydro-2H-azepin-1-ium chloride](/api/spectrum/9zyyPvXiicn/structure.png?h=300&w=458 "1-Methyl-7-{[3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]amino}-3,4,5,6-tetrahydro-2H-azepin-1-ium chloride")
