A1EOB
Summary
| Name: | 2-(4-methyl-1,4-diazepan-1-yl)-~{N}-[(5-methylpyrazin-2-yl)methyl]-5-oxidanylidene-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide |
| Formula: | C27 H27 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 513.614 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methyl-1,4-diazepan-1-yl)-~{N}-[(5-methylpyrazin-2-yl)methyl]-5-oxidanylidene-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H27N7O2S/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36) |
| InChIKey | InChI | 1.06 | XGPBJCHFROADCK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)c2ccc3C(=O)C(=C4Sc5ccccc5N4c3n2)C(=O)NCc6cnc(C)cn6 |
| SMILES | CACTVS | 3.385 | CN1CCCN(CC1)c2ccc3C(=O)C(=C4Sc5ccccc5N4c3n2)C(=O)NCc6cnc(C)cn6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(cn1)CNC(=O)C2=C3N(c4ccccc4S3)c5c(ccc(n5)N6CCCN(CC6)C)C2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(cn1)CNC(=O)C2=C3N(c4ccccc4S3)c5c(ccc(n5)N6CCCN(CC6)C)C2=O |
