A1JFJ
Summary
| Name: | 2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one |
| Formula: | C13 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 257.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N5O/c1-8-7-12(19)16-13(15-8)18-17-9(2)10-3-5-11(14)6-4-10/h3-7H,14H2,1-2H3,(H2,15,16,18,19)/b17-9+ |
| InChIKey | InChI | 1.06 | BIKKGLWZIUKTFP-RQZCQDPDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)N=C(N\N=C(C)\c2ccc(N)cc2)N1 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)N=C(NN=C(C)c2ccc(N)cc2)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)N=C(N1)N/N=C(\C)/c2ccc(cc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)N=C(N1)NN=C(C)c2ccc(cc2)N |
