L9T
Summary
| Name: | N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine |
| Formula: | C16 H16 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 328.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O2S/c1-10-15(12-6-7-20(2)19-12)23-16(18-10)17-8-11-4-3-5-13-14(11)22-9-21-13/h3-7H,8-9H2,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | VRBFSPXSSUIMQI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C |
| SMILES | CACTVS | 3.385 | Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C |
