WYA
Summary
| Name: | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Formula: | C14 H12 N8 O |
| Formal charge: | 0 |
| Formula weight: | 308.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-[[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl]-7~{H}-[1,2,4]triazolo[4,3-a]pyrazin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4 |
| InChI | InChI | 1.03 | InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23) |
| InChIKey | InChI | 1.03 | SJNJEBJSEDWSOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1nnc2n1C=CNC2=O)c3ccc4nccnc4n3 |
| SMILES | CACTVS | 3.385 | CN(Cc1nnc2n1C=CNC2=O)c3ccc4nccnc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1nnc2n1C=CNC2=O)c3ccc4c(n3)nccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1nnc2n1C=CNC2=O)c3ccc4c(n3)nccn4 |
