A1EA5
Summary
| Name: | ~{N}-[(3~{S})-3-(hydroxymethyl)piperidin-3-yl]-6-[(4-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide |
| Formula: | C20 H26 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 418.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-3-(hydroxymethyl)piperidin-3-yl]-6-[(4-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26N4O4S/c1-14-18(29-13-22-14)10-28-15-3-4-17-16(9-15)24(7-8-27-17)19(26)23-20(12-25)5-2-6-21-11-20/h3-4,9,13,21,25H,2,5-8,10-12H2,1H3,(H,23,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | YSEIQWGTHQGPSB-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncsc1COc2ccc3OCCN(C(=O)N[C@@]4(CO)CCCNC4)c3c2 |
| SMILES | CACTVS | 3.385 | Cc1ncsc1COc2ccc3OCCN(C(=O)N[C]4(CO)CCCNC4)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)COc2ccc3c(c2)N(CCO3)C(=O)N[C@]4(CCCNC4)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)COc2ccc3c(c2)N(CCO3)C(=O)NC4(CCCNC4)CO |
