Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(N=C(N1)Cc3nc2ccccc2n3C)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C17H19N5O2/c1-21-13-5-3-2-4-12(13)18-15(21)10-14-19-16(11-17(23)20-14)22-6-8-24-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,20,23) |
InChIKey | InChI | 1.03 | XLESLWHDVUIEMT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(CC2=NC(=CC(=O)N2)N3CCOCC3)nc4ccccc14 |
SMILES | CACTVS | 3.385 | Cn1c(CC2=NC(=CC(=O)N2)N3CCOCC3)nc4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4 |