Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCNc1nc2cccnc2c(n1)N1CC(=O)Nc2cc(ccc21)OC |
InChI | InChI | 1.03 | InChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23) |
InChIKey | InChI | 1.03 | FLLCARSUVGNNTL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4cc(OC)ccc34 |
SMILES | CACTVS | 3.385 | CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4cc(OC)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC |