Z14
Summary
| Name: | 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide |
| Formula: | C17 H22 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 386.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide |
| OpenEye OEToolkits | 1.7.0 | 4-(4-azanylpiperidin-1-yl)-2-[(2-azanylpyrimidin-5-yl)methylamino]-5-nitro-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2cc(C(=O)N)c(NCc1cnc(nc1)N)cc2N3CCC(N)CC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1CCN(CC1)c2cc(NCc3cnc(N)nc3)c(cc2[N+]([O-])=O)C(N)=O |
| SMILES | CACTVS | 3.370 | NC1CCN(CC1)c2cc(NCc3cnc(N)nc3)c(cc2[N+]([O-])=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H22N8O3/c18-11-1-3-24(4-2-11)14-6-13(12(16(19)26)5-15(14)25(27)28)21-7-10-8-22-17(20)23-9-10/h5-6,8-9,11,21H,1-4,7,18H2,(H2,19,26)(H2,20,22,23) |
| InChIKey | InChI | 1.03 | YOJFGNJSVVXBNX-UHFFFAOYSA-N |
