G1O
Summary
| Name: | 5-amino-4-methylisoquinolin-1(2H)-one |
| Formula: | C10 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 174.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-4-methylisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-azanyl-4-methyl-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2cccc(c2C(=CN1)C)N |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O/c1-6-5-12-10(13)7-3-2-4-8(11)9(6)7/h2-5H,11H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | HIQZHQXXBMHINP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CNC(=O)c2cccc(N)c12 |
| SMILES | CACTVS | 3.385 | CC1=CNC(=O)c2cccc(N)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CNC(=O)c2c1c(ccc2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CNC(=O)c2c1c(ccc2)N |
