KSS
Summary
| Name: | 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine |
| Formula: | C16 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 315.39 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 7-(3,4-dimethoxyphenyl)-5-ethylsulfanyl-imidazo[2,1-f]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3 |
| SMILES | CACTVS | 3.352 | CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O2S/c1-4-22-16-18-12(10-15-17-7-8-19(15)16)11-5-6-13(20-2)14(9-11)21-3/h5-10H,4H2,1-3H3 |
| InChIKey | InChI | 1.03 | VCAREOFNIBYKAE-UHFFFAOYSA-N |
