3,8-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene

enlarge

Systematic / IUPAC Name: 3,9-Dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine

ID: Reference6477

Other Names: 3,9-Dimethyl-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[4,3-E]pyrimidine;
[1]Benzothieno[3,2-E]-1,2,4-triazolo[4,3-c]pyrimidine, 8,9,10,11-tetrahydro-3,9-dimethyl-

Formula: C13H14N4S

Spectral Data

3,8-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 3/16/2017 11:54:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H14N4S/c1-7-3-4-9-10(5-7)18-13-11(9)12-16-15-8(2)17(12)6-14-13/h6-7H,3-5H2,1-2H3
InChI Key PJJIBDCCVASVHS-UHFFFAOYSA-N
Canonical SMILES CC1CCC2=C(C1)SC3=C2C4=NN=C(N4C=N3)C
CAS
Splash
Other Names 3,9-Dimethyl-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[4,3-E]pyrimidine;
[1]Benzothieno[3,2-E]-1,2,4-triazolo[4,3-c]pyrimidine, 8,9,10,11-tetrahydro-3,9-dimethyl-

In Other Databases

PubChem 2815941
ChemSpider 2094297