YQ7
Summary
| Name: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
| Formula: | C16 H12 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 325.752 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
| OpenEye OEToolkits | 2.0.7 | 8-chloranyl-2-methyl-9-(3-methylpyridin-4-yl)-6~{H}-[1,2,4]triazolo[1,5-c]quinazolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cnccc1c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H12ClN5O/c1-8-7-18-4-3-10(8)11-5-12-14(6-13(11)17)20-16(23)22-15(12)19-9(2)21-22/h3-7H,1-2H3,(H,20,23) |
| InChIKey | InChI | 1.03 | FVTXWRGKBOWNPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn2C(=O)Nc3cc(Cl)c(cc3c2n1)c4ccncc4C |
| SMILES | CACTVS | 3.385 | Cc1nn2C(=O)Nc3cc(Cl)c(cc3c2n1)c4ccncc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C |
