Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)nnc2)N5CC=C(c4c3ccccc3nc4)CC5 |
InChI | InChI | 1.03 | InChI=1S/C18H16N6/c1-2-4-16-13(3-1)14(9-19-16)12-5-7-24(8-6-12)18-15-10-22-23-17(15)20-11-21-18/h1-5,9-11,19H,6-8H2,(H,20,21,22,23) |
InChIKey | InChI | 1.03 | QOXYIHCPHZOWJH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[nH]c5ccccc45 |
SMILES | CACTVS | 3.385 | C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4 |