種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cn1nc(nc1CCc1nc(NC(C)C)c2nc(C)c(C)n2n1)N1CCCC1 |
InChI | InChI | 1.03 | InChI=1S/C19H29N9/c1-12(2)20-17-18-21-13(3)14(4)28(18)24-15(22-17)8-9-16-23-19(25-26(16)5)27-10-6-7-11-27/h12H,6-11H2,1-5H3,(H,20,22,24) |
InChIKey | InChI | 1.03 | QSNCXYJSYCNVBS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1nc(CCc2nc(nn2C)N3CCCC3)nn4c(C)c(C)nc14 |
SMILES | CACTVS | 3.385 | CC(C)Nc1nc(CCc2nc(nn2C)N3CCCC3)nn4c(C)c(C)nc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)c(nc(n2)CCc3nc(nn3C)N4CCCC4)NC(C)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)c(nc(n2)CCc3nc(nn3C)N4CCCC4)NC(C)C)C |