FDB
Summary
| Name: | 2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one |
| Formula: | C7 H8 N4 O |
| Formal charge: | 0 |
| Formula weight: | 164.165 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-5-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(cnc2N=C(N)N1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | AYVRAXSWHNOEEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c[nH]c2N=C(N)NC(=O)c12 |
| SMILES | CACTVS | 3.385 | Cc1c[nH]c2N=C(N)NC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c[nH]c2c1C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c[nH]c2c1C(=O)NC(=N2)N |
