Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCn1cnc2C(=O)NC(=Nc12)N)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CCn1cnc2C(=O)NC(=Nc12)N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCC(C(=O)O)N)N=C(NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | GDUSYGWHRRYUNO-BYPYZUCNSA-N |