1JX
Summary
| Name: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one |
| Formula: | C8 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 163.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-methyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Nc1ncccc1NC2C |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3O/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-5,10H,1H3,(H,9,11,12)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | XMOQIVFMYHKHRR-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1Nc2cccnc2NC1=O |
| SMILES | CACTVS | 3.370 | C[CH]1Nc2cccnc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C(=O)Nc2c(cccn2)N1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(=O)Nc2c(cccn2)N1 |
