W53
Summary
| Name: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide |
| Formula: | C23 H26 N8 O |
| Formal charge: | 0 |
| Formula weight: | 430.506 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31) |
| InChIKey | InChI | 1.06 | CXQMELVFJVOVGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3 |
| SMILES | CACTVS | 3.385 | NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nc2c1ccc(n2)N)CC(Cc3ccc4ccc(nc4n3)N)C(=O)NCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc2c1ccc(n2)N)CC(Cc3ccc4ccc(nc4n3)N)C(=O)NCCCN |
