VIH
Summary
| Name: | 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one |
| Formula: | C11 H9 Cl N4 O S2 |
| Formal charge: | 0 |
| Formula weight: | 312.798 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-8-(cyclopropylmethyl)-12-sulfanylidene-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-trien-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9ClN4OS2/c12-7-3-6-8(19-7)9(17)15(4-5-1-2-5)10-13-14-11(18)16(6)10/h3,5H,1-2,4H2,(H,14,18) |
| InChIKey | InChI | 1.06 | ACSIYLGZFSSIBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc2C(=O)N(CC3CC3)C4=NNC(=S)N4c2c1 |
| SMILES | CACTVS | 3.385 | Clc1sc2C(=O)N(CC3CC3)C4=NNC(=S)N4c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(sc1Cl)C(=O)N(C3=NNC(=S)N23)CC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(sc1Cl)C(=O)N(C3=NNC(=S)N23)CC4CC4 |
