Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)C(N1)Cc2cnc3ccccc23 |
InChI | InChI | 1.03 | InChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | RUUREKIGAKIKIL-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |
SMILES | CACTVS | 3.385 | O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(=O)N3 |