IYX
Summary
| Name: | 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine |
| Formula: | C17 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 314.402 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1OC)c2ccc3sc(cc3c2)C(N)N |
| SMILES | CACTVS | 3.352 | COc1ccc(cc1OC)c2ccc3sc(cc3c2)C(N)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O2S/c1-20-13-5-3-11(8-14(13)21-2)10-4-6-15-12(7-10)9-16(22-15)17(18)19/h3-9,17H,18-19H2,1-2H3 |
| InChIKey | InChI | 1.03 | XZOIHOQTJVDJCE-UHFFFAOYSA-N |
