Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1CCN(C(C1)c1ccc(C)o1)C(=O)c1ncnc2[NH]ccc21 |
InChI | InChI | 1.06 | InChI=1S/C18H20N4O2/c1-11-6-8-22(14(9-11)15-4-3-12(2)24-15)18(23)16-13-5-7-19-17(13)21-10-20-16/h3-5,7,10-11,14H,6,8-9H2,1-2H3,(H,19,20,21)/t11-,14-/m0/s1 |
InChIKey | InChI | 1.06 | ZHFXJVHZUDTZGC-FZMZJTMJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN([C@@H](C1)c2oc(C)cc2)C(=O)c3ncnc4[nH]ccc34 |
SMILES | CACTVS | 3.385 | C[CH]1CCN([CH](C1)c2oc(C)cc2)C(=O)c3ncnc4[nH]ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)[C@@H]2C[C@H](CCN2C(=O)c3c4cc[nH]c4ncn3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C2CC(CCN2C(=O)c3c4cc[nH]c4ncn3)C |