A1BTM
Summary
| Name: | 1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]-1,3-diazinane-2,4-dione |
| Formula: | C15 H14 Cl N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 351.808 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]-1,3-diazinane-2,4-dione |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(4-chloranylthiophen-2-yl)methyl]-3-[(2-oxidanylidene-1~{H}-pyridin-3-yl)methyl]-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc(CN2CCC(=O)N(CC3=CC=CNC3=O)C2=O)sc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H14ClN3O3S/c16-11-6-12(23-9-11)8-18-5-3-13(20)19(15(18)22)7-10-2-1-4-17-14(10)21/h1-2,4,6,9H,3,5,7-8H2,(H,17,21) |
| InChIKey | InChI | 1.06 | CFFQNGKRYYJCIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1csc(CN2CCC(=O)N(CC3=CC=CNC3=O)C2=O)c1 |
| SMILES | CACTVS | 3.385 | Clc1csc(CN2CCC(=O)N(CC3=CC=CNC3=O)C2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3=O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3=O)Cl |
