FO0
Summary
| Name: | 6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide |
| Formula: | C20 H18 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 374.396 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-11-methyl-2-oxidanylidene-~{N}-[(1~{S})-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N6O2/c1-11-5-4-8-26-18(11)25-17-15(20(26)28)9-14(16(21)24-17)19(27)23-12(2)13-6-3-7-22-10-13/h3-10,12H,1-2H3,(H2,21,24)(H,23,27)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | FHRKZGQIKPGLAU-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2nc1N)c4cccnc4 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2nc1N)c4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NC(C)c4cccnc4)C2=O |
