Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](Cn1cnc2C(=O)NC(=Nc12)N)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cn1cnc2C(=O)NC(=Nc12)N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CC(C(=O)O)N)N=C(NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | BYXRWAYRLQEIRT-GSVOUGTGSA-N |