種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | n3c(ccc4nnc(Sc2cc1cccnc1cc2)n34)c5cn(nc5)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1cc(cn1)c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2 |
SMILES | CACTVS | 3.341 | Cn1cc(cn1)c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5 |
InChI | InChI | 1.03 | InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3 |
InChIKey | InChI | 1.03 | BCZUAADEACICHN-UHFFFAOYSA-N |