Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(Nc1c3n(c2c(n1)cccc2)nnn3)ccc(c4)C(=O)N5CCOCC5 |
InChI | InChI | 1.03 | InChI=1S/C19H17N7O2/c27-19(25-9-11-28-12-10-25)13-5-7-14(8-6-13)20-17-18-22-23-24-26(18)16-4-2-1-3-15(16)21-17/h1-8H,9-12H2,(H,20,21) |
InChIKey | InChI | 1.03 | HWBRIQBWLONMBS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCOCC1)c2ccc(Nc3nc4ccccc4n5nnnc35)cc2 |
SMILES | CACTVS | 3.385 | O=C(N1CCOCC1)c2ccc(Nc3nc4ccccc4n5nnnc35)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5 |