| SpectraBase Spectrum ID |
IaPnseiZj2w |
| Name |
5,5'-(1,4-Phenylenebis(4-oxo-2-thioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) |
| Appearance |
Pale yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H24N10O8S2 |
| InChI |
InChI=1S/C30H24N10O8S2/c1-37-23(43)15(24(44)38(2)29(37)47)11-13-19(33-27(49)35-21(13)41)31-17(11)9-5-7-10(8-6-9)18-12(14-20(32-18)34-28(50)36-22(14)42)16-25(45)39(3)30(48)40(4)26(16)46/h5-8,15-16H,1-4H3,(H3,31,33,35,41,49)(H3,32,34,36,42,50) |
| InChIKey |
AMCQWWHAHGFQOG-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5975C VL MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3320 |
| Molecular Weight |
716.704 g/mol |
| Reported Formula |
C30H24N10O8S2 |
| SMILES |
N1C(NC(c2c(c(-c3ccc(-c4c(c5C(NC(Nc5[nH]4)=S)=O)C4C(N(C(N(C4=O)C)=O)C)=O)cc3)[nH]c12)C1C(N(C(N(C1=O)C)=O)C)=O)=O)=S |
| SPLASH |
splash10-052f-9211000000-7a654ee6a5f9fbac71c4 |
| Source of Spectrum |
Y-55-SM16-5g |
| Wiley ID |
1878914 |
![5,5'-(1,4-Phenylenebis(4-oxo-2-thioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)](/api/spectrum/IaPnseiZj2w/structure.png?h=300&w=458 "5,5'-(1,4-Phenylenebis(4-oxo-2-thioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)")
