| SpectraBase Spectrum ID |
JtMxh02IGXJ |
| Name |
4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17Cl2N5O2S |
| InChI |
InChI=1S/C18H17Cl2N5O2S/c1-23-15-14(16(26)24(2)18(23)27)25(17(22-15)28-8-4-3-7-21)10-11-5-6-12(19)13(20)9-11/h5-6,9H,3-4,8,10H2,1-2H3 |
| InChIKey |
PBELTZBBZQZIIJ-UHFFFAOYSA-N |
| Molecular Weight |
438.333 g/mol |
| SMILES |
C(CCCSc1nc2N(C(=O)N(C(c2[n]1Cc1ccc(c(c1)Cl)Cl)=O)C)C)#N |
| SPLASH |
splash10-0bt9-3910000000-1e2e4c920633decf6c48 |
| Source of Spectrum |
IY-2-5074-1 |
| Synonyms |
Butanenitrile, 4-[[7-[(3,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
4-[[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]butanenitrile
4-[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylbutanenitrile
4-[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylbutanenitrile
4-[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanenitrile |
| Wiley ID |
1658724 |
![4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile](/api/spectrum/JtMxh02IGXJ/structure.png?h=300&w=458 "4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile")
