D58
Summary
| Name: | 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide |
| Formula: | C20 H22 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 366.48 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | LMQOZGSVTQQPFU-WBMJQRKESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1NCCC[C@@H]1Nc2ncc(C(N)=O)c3sc(cc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C[CH]1NCCC[CH]1Nc2ncc(C(N)=O)c3sc(cc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4 |
