| SpectraBase Spectrum ID |
20wIPWRmvA3 |
| Name |
7-((1H-Benzo[d]imidazol-2-yl)methylthio)-3,4-dihydro-4-imino-5-phenylpyrimido[4,5-d]pyrimidin-2(1H)-one.hydrochloride |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H16ClN7OS |
| InChI |
InChI=1S/C20H15N7OS.ClH/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14;/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28);1H |
| InChIKey |
SJVIPHAXVQIHSF-UHFFFAOYSA-N |
| Molecular Weight |
437.909 g/mol |
| SMILES |
Cl.N=C1c2c(nc(SCc3nc4ccccc4[nH]3)nc2-c2ccccc2)NC(N1)=O |
| SPLASH |
splash10-0006-0900000000-9343496b741052d8ba53 |
| Source of Spectrum |
F2-45-2343-25 |
| Synonyms |
5-amino-2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6H-pyrimido[4,5-d]pyrimidin-7-one;hydrochloride
5-azanyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6H-pyrimido[4,5-d]pyrimidin-7-one;hydrochloride |
| Wiley ID |
1713444 |
![7-((1H-Benzo[d]imidazol-2-yl)methylthio)-3,4-dihydro-4-imino-5-phenylpyrimido[4,5-d]pyrimidin-2(1H)-one.hydrochloride](/api/spectrum/20wIPWRmvA3/structure.png?h=300&w=458 "7-((1H-Benzo[d]imidazol-2-yl)methylthio)-3,4-dihydro-4-imino-5-phenylpyrimido[4,5-d]pyrimidin-2(1H)-one.hydrochloride")
