8HP
Summary
| Name: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one |
| Formula: | C18 H15 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 370.856 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one |
| OpenEye OEToolkits | 2.0.6 | 8-[(4-chlorophenyl)methyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,11(16)-tetraen-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c5c(CN3C(n4c(c2c1CCCCc1sc23)ncn4)=O)ccc(c5)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 |
| InChIKey | InChI | 1.03 | SRUIZVZXCPBTGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2C(=O)n3ncnc3c4c5CCCCc5sc24)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2C(=O)n3ncnc3c4c5CCCCc5sc24)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl |
