A1IJ6
Summary
| Name: | (2S)-N-aminocarbonyl-2-[(4-cyano-6-cyclopropyl-cyclohexa-1,2,3,5-tetraen-1-yl)amino]propanamide |
| Formula: | C14 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 270.287 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-aminocarbonyl-2-[(4-cyano-6-cyclopropyl-cyclohexa-1,2,3,5-tetraen-1-yl)amino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H14N4O2/c1-8(13(19)18-14(16)20)17-12-5-2-9(7-15)6-11(12)10-3-4-10/h6,8,10,17H,3-4H2,1H3,(H3,16,18,19,20)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | BZGASCWVHGFRKP-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1ccc(cc1C2CC2)C#N)C(=O)NC(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](Nc1ccc(cc1C2CC2)C#N)C(=O)NC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)NC(=O)N)NC1=C=C=C(C=C1C2CC2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NC(=O)N)NC1=C=C=C(C=C1C2CC2)C#N |
