17E
Summary
| Name: | 5-methylcytosine |
| Synonyms: | 4-amino-5-methylpyrimidin-2(1H)-one |
| Formula: | C5 H7 N3 O |
| Formal charge: | 0 |
| Formula weight: | 125.129 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-5-methylpyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-5-methyl-1H-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(N)C(=CN1)C |
| InChI | InChI | 1.03 | InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) |
| InChIKey | InChI | 1.03 | LRSASMSXMSNRBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CNC(=O)N=C1N |
| SMILES | CACTVS | 3.370 | CC1=CNC(=O)N=C1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CNC(=O)N=C1N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CNC(=O)N=C1N |
