I0R
Summary
| Name: | 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one |
| Formula: | C16 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 326.373 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one |
| OpenEye OEToolkits | 2.0.7 | 10-[(4-hydroxyphenyl)methyl]-4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,11-tetraen-9-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)CN1N=Cc2c(C1=O)n(C)c1nc(C)sc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H14N4O2S/c1-9-18-15-14(23-9)12-7-17-20(16(22)13(12)19(15)2)8-10-3-5-11(21)6-4-10/h3-7,21H,8H2,1-2H3 |
| InChIKey | InChI | 1.06 | NQVFGWFRBBZGQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2nc(C)sc2c3C=NN(Cc4ccc(O)cc4)C(=O)c13 |
| SMILES | CACTVS | 3.385 | Cn1c2nc(C)sc2c3C=NN(Cc4ccc(O)cc4)C(=O)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccc(cc4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccc(cc4)O |
