3MC
Summary
| Name: | 3-METHYLCYTOSINE |
| Formula: | C5 H8 N3 O |
| Formal charge: | 1 |
| Formula weight: | 126.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium |
| OpenEye OEToolkits | 1.5.0 | 6-amino-1-methyl-3H-pyrimidin-1-ium-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1[N+](=C(N)C=CN1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[N+]1=C(N)C=CNC1=O |
| SMILES | CACTVS | 3.341 | C[N+]1=C(N)C=CNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+]1=C(C=CNC1=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+]1=C(C=CNC1=O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,6,7,9)/p+1 |
| InChIKey | InChI | 1.03 | UPHQQDZIRIHPHU-UHFFFAOYSA-O |
