EUO
Summary
| Name: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine |
| Formula: | C14 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 302.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(1~{H}-indol-5-yl)-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18) |
| InChIKey | InChI | 1.03 | RTONKOFFKFVXAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3[nH]ccc3c2 |
| SMILES | CACTVS | 3.385 | CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3[nH]ccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3 |
