Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)C(=O)c1cc(ccc1N)c1cc2cc[NH]c2nc1 |
InChI | InChI | 1.03 | InChI=1S/C16H16N4O/c1-20(2)16(21)13-8-10(3-4-14(13)17)12-7-11-5-6-18-15(11)19-9-12/h3-9H,17H2,1-2H3,(H,18,19) |
InChIKey | InChI | 1.03 | NYTIYMREXUPYRJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2 |
SMILES | CACTVS | 3.385 | CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2 |