A1ACC
Summary
| Name: | (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C15 H9 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 324.725 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-7-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1Cc2cc(ccc2N1)Nc1cc(Cl)nc2c(cnn12)C#N |
| InChI | InChI | 1.06 | InChI=1S/C15H9ClN6O/c16-12-5-13(22-15(21-12)9(6-17)7-18-22)19-10-1-2-11-8(3-10)4-14(23)20-11/h1-3,5,7,19H,4H2,(H,20,23) |
| InChIKey | InChI | 1.06 | BOYDRCLOWAYCQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Nc2ccc3NC(=O)Cc3c2)n4ncc(C#N)c4n1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Nc2ccc3NC(=O)Cc3c2)n4ncc(C#N)c4n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)Cl)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)Cl)CC(=O)N2 |
