Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(sc1N)c5cc4c(c2cc3ccccc3nc2)nnc4cc5 |
InChI | InChI | 1.03 | InChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24) |
InChIKey | InChI | 1.03 | GQCHSJRNLCGUAC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(cn1)c2ccc3n[nH]c(c4cnc5ccccc5c4)c3c2 |
SMILES | CACTVS | 3.385 | Nc1sc(cn1)c2ccc3n[nH]c(c4cnc5ccccc5c4)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N |