6JV
Summary
| Name: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide |
| Formula: | C23 H28 N6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 484.571 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-4-oxidanylidene-3~{H}-thieno[3,2-d]pyrimidine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c14c(scc1C(=O)Nc2ccc(cc2OC)C(NCCCN3CCN(C)CC3)=O)C(=O)NC=N4 |
| InChI | InChI | 1.03 | InChI=1S/C23H28N6O4S/c1-28-8-10-29(11-9-28)7-3-6-24-21(30)15-4-5-17(18(12-15)33-2)27-22(31)16-13-34-20-19(16)25-14-26-23(20)32/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,30)(H,27,31)(H,25,26,32) |
| InChIKey | InChI | 1.03 | YTKZLQGZFHCSKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1NC(=O)c2csc3C(=O)NC=Nc23)C(=O)NCCCN4CCN(C)CC4 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1NC(=O)c2csc3C(=O)NC=Nc23)C(=O)NCCCN4CCN(C)CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O |
