Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C1NC(=Nc2c1cnn2C3CCCC3)Cc4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.352 | O=C1NC(=Nc2n(ncc12)C3CCCC3)Cc4ccccc4 |
SMILES | CACTVS | 3.352 | O=C1NC(=Nc2n(ncc12)C3CCCC3)Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22) |
InChIKey | InChI | 1.03 | FVOYQCUKGQGDKH-UHFFFAOYSA-N |