| SpectraBase Spectrum ID |
3CH6wWt6m1a |
| Name |
Pentanenitrile, 5-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]- |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20ClN5O2S |
| InChI |
InChI=1S/C19H20ClN5O2S/c1-23-16-15(17(26)24(2)19(23)27)25(12-13-8-4-5-9-14(13)20)18(22-16)28-11-7-3-6-10-21/h4-5,8-9H,3,6-7,11-12H2,1-2H3 |
| InChIKey |
QMOLXIROHOXSLC-UHFFFAOYSA-N |
| Molecular Weight |
417.915 g/mol |
| SMILES |
C(CCCCSc1nc2N(C(=O)N(C(c2[n]1Cc1ccccc1Cl)=O)C)C)#N |
| SPLASH |
splash10-004i-5920000000-0e3fe2253766e8af6e31 |
| Source of Spectrum |
IY-1-4618-2 |
| Synonyms |
5-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]pentanenitrile
5-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpentanenitrile
5-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylpentanenitrile
5-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpentanenitrile |
| Wiley ID |
1654165 |
![Pentanenitrile, 5-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-](/api/spectrum/3CH6wWt6m1a/structure.png?h=300&w=458 "Pentanenitrile, 5-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-")
