| SpectraBase Spectrum ID |
436XLMWOvy2 |
| Name |
6-Chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-4-(4-piperionylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine |
| Alternate Name(s) |
6-Chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H32ClN9O4S |
| InChI |
InChI=1S/C31H32ClN9O4S/c1-37(2)30-33-26(32)24-23(19-6-8-20(9-7-19)41(42)43)25-27(34-31(38(3)4)36-29(25)46-28(24)35-30)40-13-11-39(12-14-40)16-18-5-10-21-22(15-18)45-17-44-21/h5-10,15,23H,11-14,16-17H2,1-4H3 |
| InChIKey |
XUCSTCYSDZRZMX-UHFFFAOYSA-N |
| Molecular Weight |
662.169 g/mol |
| SMILES |
c12c(nc(nc2Sc2c(C1c1ccc(N(=O)=O)cc1)c(nc(N(C)C)n2)Cl)N(C)C)N1CCN(CC1)Cc1cc2OCOc2cc1 |
| SPLASH |
splash10-000i-0900000000-067fd77ba3ac4ef714e9 |
| Source of Spectrum |
H1-52-341-5 |
| Wiley ID |
817572 |
![6-Chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-4-(4-piperionylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine](/api/spectrum/436XLMWOvy2/structure.png?h=300&w=458 "6-Chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-4-(4-piperionylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine")
