Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccc2n1c(nnc1C)N(N=C(c2c3)c4ccccc4)C |
InChI | InChI | 1.03 | InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3 |
InChIKey | InChI | 1.03 | UYIVCPRWMLOCSB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1N=C(c2ccccc2)c3cc(Cl)ccc3n4c(C)nnc14 |
SMILES | CACTVS | 3.370 | CN1N=C(c2ccccc2)c3cc(Cl)ccc3n4c(C)nnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl |