| SpectraBase Spectrum ID |
3NTklDneP2X |
| Name |
2-[5-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7-(phenylamino)pyrimido[4,5-d]pyrimidinyl]]benzonitrile |
| Alternate Name(s) |
2-(2-anilino-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)benzonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16N6O2 |
| InChI |
InChI=1S/C21H16N6O2/c1-26-18-16(19(28)27(2)21(26)29)17(15-11-7-6-8-13(15)12-22)24-20(25-18)23-14-9-4-3-5-10-14/h3-11H,1-2H3,(H,23,24,25) |
| InChIKey |
HDVOJYZUIHYQQY-UHFFFAOYSA-N |
| Molecular Weight |
384.399 g/mol |
| SMILES |
N(c1nc(c2C(N(C(N(C)c2n1)=O)C)=O)-c1c(C#N)cccc1)c1ccccc1 |
| SPLASH |
splash10-001i-0009000000-f670aea28284c65984d2 |
| Source of Spectrum |
J-58-6984-16 |
| Wiley ID |
1361498 |
![2-[5-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7-(phenylamino)pyrimido[4,5-d]pyrimidinyl]]benzonitrile](/api/spectrum/3NTklDneP2X/structure.png?h=300&w=458 "2-[5-[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7-(phenylamino)pyrimido[4,5-d]pyrimidinyl]]benzonitrile")
