Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2cc1cc(nc(c1cc2)NCC(N)(C)C)c3ccncc3 |
InChI | InChI | 1.03 | InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22) |
InChIKey | InChI | 1.03 | WNDOFCPEDZYDPL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3 |
SMILES | CACTVS | 3.370 | CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N |