O7O
Summary
| Name: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid |
| Formula: | C16 H16 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 349.835 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20) |
| InChIKey | InChI | 1.06 | BPCUCWYWVVQEIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1 |
| SMILES | CACTVS | 3.385 | OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(c(c1)Nc3cc(nc(n3)SCC(=O)O)Cl)CCCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(c(c1)Nc3cc(nc(n3)SCC(=O)O)Cl)CCCC2 |
