Q0Q
Summary
| Name: | 4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile |
| Formula: | C16 H14 N6 |
| Formal charge: | 0 |
| Formula weight: | 290.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N6/c1-11(12-5-3-2-4-6-12)22-9-13(8-21-22)15-14(7-17)16(18)20-10-19-15/h2-6,8-11H,1H3,(H2,18,19,20)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | YHDDGKWKOCFLDB-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](n1cc(cn1)c2ncnc(N)c2C#N)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](n1cc(cn1)c2ncnc(N)c2C#N)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N |
