7-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
7-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one Structure
Systematic / IUPAC Name: 7-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
ID: Reference4850
Other Names:
[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one,2,3,5,6,7,8-hexahydro-7-methyl-3-phenyl-2-thioxo-;
2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;
2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one;
2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;
7-Methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula: C17H16N2OS2
Spectral Data
7-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 5/13/2016 10:05:31 AM |
Identificators
| InChI | InChI=1S/C17H16N2OS2/c1-10-7-8-12-13(9-10)22-15-14(12)16(20)19(17(21)18-15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,21) |
| InChI Key | IVSIHDBMSUYSAH-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names |
[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one,2,3,5,6,7,8-hexahydro-7-methyl-3-phenyl-2-thioxo-; 2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one; 2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one; 2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one; 7-Methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one; 7-Methyl-3-phenyl-2-thioxo-1,3,5,6,7,8-hexahydrobenzo[b]thiopheno[2,3-d]pyrimi din-4-one |