Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21 |
InChI | InChI | 1.06 | InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1 |
InChIKey | InChI | 1.06 | HZXBKRVXTGQUNC-SSDOTTSWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23 |
SMILES | CACTVS | 3.385 | C[CH]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O |