95O
Summary
| Name: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one |
| Formula: | C19 H18 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 362.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},9~{S})-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18N6O2/c1-10-22-23-17-14(20)6-12(9-24(10)17)19(27)25-15-7-11-4-2-3-5-13(11)16(25)8-21-18(15)26/h2-6,9,15-16H,7-8,20H2,1H3,(H,21,26)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | MHYBWRVBBIRKIQ-HOTGVXAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4CNC(=O)[C@@H]3Cc5ccccc45 |
| SMILES | CACTVS | 3.385 | Cc1nnc2n1cc(cc2N)C(=O)N3[CH]4CNC(=O)[CH]3Cc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cc(cc2N)C(=O)N3C4Cc5ccccc5C3CNC4=O |
