B2R
Summary
| Name: | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate |
| Synonyms: | Naphthyridine Carbamate Dimer |
| Formula: | C26 H29 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 503.553 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35) |
| InChIKey | InChI | 1.03 | RLXLNYXAIXVZCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C |
