Q0K
Summary
| Name: | 2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one |
| Formula: | C13 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 240.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-5-(4-methylphenyl)-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)c3ccc(cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4O/c1-7-2-4-8(5-3-7)9-6-15-11-10(9)12(18)17-13(14)16-11/h2-6H,1H3,(H4,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | ZVGJANRRWBZTJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2c[nH]c3N=C(N)NC(=O)c23 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2c[nH]c3N=C(N)NC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N |
