種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 11.02 | n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N |
SMILES_CANONICAL | CACTVS | 3.352 | CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14 |
SMILES | CACTVS | 3.352 | CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N |
InChI | InChI | 1.03 | InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22) |
InChIKey | InChI | 1.03 | QFGDRGRJMYSRIW-UHFFFAOYSA-N |