0JJ
Summary
| Name: | 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine |
| Formula: | C19 H16 N8 O S |
| Formal charge: | 0 |
| Formula weight: | 404.448 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n4n1c(nnc1CNc2c3ncc(OC)cc3ncc2)ccc4c5snc(c5)C |
| InChI | InChI | 1.03 | InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.03 | QMWKLCXWSJTEFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1 |
| SMILES | CACTVS | 3.370 | COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC |
