CBMicro_042660
13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Also Known As: CBMicro_042660|Oprea1_838644|BIM-0042633.P001|9-(dimethylamino)-3-(4-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one|AH-262/36083017|SR-01000226125-1|13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one|9-dimethylamino-3-(ptolyl)-3H-5-thia-1,3,6-triazafluoren-4-one|9-(dimethylamino)-3-(p-tolyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one|9-Dimethylamino-3-p-tolyl-3H-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one|9-(Dimethylamino)-3-(4-methylphenyl)pyrido[3 ,2 :4,5]thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.1045 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1045 |
| Monoisotopic Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 6048-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C |
| InChIKey | TUKBLRJBXIQJPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CBMicro_042660 (CAS 6048-64-2), with molecular formula C18H16N4OS and molecular weight 336.1045 g/mol. IUPAC: 13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.