Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)CC(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C |
InChI | InChI | 1.03 | InChI=1S/C11H13N5O4/c1-4(3-5(17)20-2)7-8(18)6-9(16-15-7)13-11(12)14-10(6)19/h4H,3H2,1-2H3,(H4,12,13,14,16,18,19)/t4-/m1/s1 |
InChIKey | InChI | 1.03 | JEWNFTGWEYCQGA-SCSAIBSYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)C[C@@H](C)C1=NNC2=C(C(=O)NC(=N2)N)C1=O |
SMILES | CACTVS | 3.370 | COC(=O)C[CH](C)C1=NNC2=C(C(=O)NC(=N2)N)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N |