Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c3cc4OCCc2c(sc(c1ncnn1C(C)C)c2)c4cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H18N4O2S/c1-10(2)22-18(20-9-21-22)15-8-11-5-6-24-14-7-12(17(19)23)3-4-13(14)16(11)25-15/h3-4,7-10H,5-6H2,1-2H3,(H2,19,23) |
InChIKey | InChI | 1.03 | DJWGTNCIAUYYCQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)n1ncnc1c2sc3c(CCOc4cc(ccc34)C(N)=O)c2 |
SMILES | CACTVS | 3.370 | CC(C)n1ncnc1c2sc3c(CCOc4cc(ccc34)C(N)=O)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N |